data_16751 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16751 _Entry.Title ; NMR diffusion and relaxation study of drug-protein interaction ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-03 _Entry.Accession_date 2010-03-03 _Entry.Last_release_date 2010-03-24 _Entry.Original_release_date 2010-03-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ren-Sheng Luo . . . 16751 2 Mai-Li Liu . . . 16751 3 Xi-An Mao . . . 16751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID 'binding constants' 1 16751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 4 16751 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-24 2010-03-03 original author . 16751 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16751 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10474906 _Citation.Full_citation . _Citation.Title 'NMR diffusion and relaxation study of drug-protein interaction' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Spectrochimica acta' _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1897 _Citation.Page_last 1901 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ren-Sheng Luo . . . 16751 1 2 Mai-Li Liu . . . 16751 1 3 Xi-An Mao . . . 16751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16751 _Assembly.ID 1 _Assembly.Name 'HSA salicylate complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HSA 1 $HSA A . yes native no no . . . 16751 1 2 salicylate 2 $SAL B . yes native no no . . . 16751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSA _Entity.Sf_category entity _Entity.Sf_framecode HSA _Entity.Entry_ID 16751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DAHKSEVAHRFKDLGEENFK ALVLIAFAQYLQQCPFEDHV KLVNEVTEFAKTCVADESAE NCDKSLHTLFGDKLCTVATL RETYGEMADCCAKQEPERNE CFLQHKDDNPNLPRLVRPEV DVMCTAFHDNEETFLKKYLY EIARRHPYFYAPELLFFAKR YKAAFTECCQAADKAACLLP KLDELRDEGKASSAKQRLKC ASLQKFGERAFKAWAVARLS QRFPKAEFAEVSKLVTDLTK VHTECCHGDLLECADDRADL AKYICENQDSISSKLKECCE KPLLEKSHCIAEVENDEMPA DLPSLAADFVESKDVCKNYA EAKDVFLGMFLYEYARRHPD YSVVLLLRLAKTYETTLEKC CAAADPHECYAKVFDEFKPL VEEPQNLIKQNCELFEQLGE YKFQNALLVRYTKKVPQVST PTLVEVSRNLGKVGSKCCKH PEAKRMPCAEDYLSVVLNQL CVLHEKTPVSDRVTKCCTES LVNRRPCFSALEVDETYVPK EFNAETFTFHADICTLSEKE EQIKKQTALVELVKHKPKAT KEQLKAVMDDFAAFVEKCCK ADDKETCFAEEGKKLVAASQ AALGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 585 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'human serum albumin' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17178 . HSA . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 2 no BMRB 17180 . HSA . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 3 no PDB 1AO6 . "Crystal Structure Of Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 4 no PDB 1BJ5 . "Human Serum Albumin Complexed With Myristic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 5 no PDB 1BKE . "Human Serum Albumin In A Complex With Myristic Acid And Tri- Iodobenzoic Acid" . . . . . 99.32 581 99.83 99.83 0.00e+00 . . . . 16751 1 6 no PDB 1BM0 . "Crystal Structure Of Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 7 no PDB 1E78 . "Crystal Structure Of Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 8 no PDB 1E7A . "Crystal Structure Of Human Serum Albumin Complexed With The General Anesthetic Propofol" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 9 no PDB 1E7B . "Crystal Structure Of Human Serum Albumin Complexed With The General Anesthetic Halothane" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 10 no PDB 1E7C . "Human Serum Albumin Complexed With Myristic Acid And The General Anesthetic Halothane" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 11 no PDB 1E7E . "Human Serum Albumin Complexed With Decanoic Acid (Capric Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 12 no PDB 1E7F . "Human Serum Albumin Complexed With Dodecanoic Acid (Lauric Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 13 no PDB 1E7G . "Human Serum Albumin Complexed With Tetradecanoic Acid (myristic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 14 no PDB 1E7H . "Human Serum Albumin Complexed With Hexadecanoic Acid (Palmitic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 15 no PDB 1E7I . "Human Serum Albumin Complexed With Octadecanoic Acid (Stearic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 16 no PDB 1GNI . "Human Serum Albumin Complexed With Cis-9-Octadecenoic Acid (Oleic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 17 no PDB 1GNJ . "Human Serum Albumin Complexed With Cis-5,8,11,14- Eicosatetraenoic Acid (Arachidonic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 18 no PDB 1H9Z . "Human Serum Albumin Complexed With Myristic Acid And The R-(+) Enantiomer Of Warfarin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 19 no PDB 1HA2 . "Human Serum Albumin Complexed With Myristic Acid And The S- (-) Enantiomer Of Warfarin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 20 no PDB 1HK1 . "Human Serum Albumin Complexed With Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 21 no PDB 1HK2 . "Human Serum Albumin Mutant R218h Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine)" . . . . . 100.00 585 99.66 99.66 0.00e+00 . . . . 16751 1 22 no PDB 1HK3 . "Human Serum Albumin Mutant R218p Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine)" . . . . . 100.00 585 99.66 99.66 0.00e+00 . . . . 16751 1 23 no PDB 1HK4 . "Human Serum Albumin Complexed With Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) And Myristic Acid (Tetradecanoic Acid)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 24 no PDB 1HK5 . "Human Serum Albumin Mutant R218h Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) And Myristic Acid (Tetradecanoic Ac" . . . . . 100.00 585 99.66 99.66 0.00e+00 . . . . 16751 1 25 no PDB 1N5U . "X-Ray Study Of Human Serum Albumin Complexed With Heme" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 26 no PDB 1O9X . "Human Serum Albumin Complexed With Tetradecanoic Acid (Myristic Acid) And Hemin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 27 no PDB 1TF0 . "Crystal Structure Of The Ga Module Complexed With Human Serum Albumin" . . . . . 97.78 572 99.83 99.83 0.00e+00 . . . . 16751 1 28 no PDB 1UOR . "X-Ray Study Of Recombinant Human Serum Albumin. Phases Determined By Molecular Replacement Method, Using Low Resolution Structu" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 29 no PDB 2BX8 . "Human Serum Albumin Complexed With Azapropazone" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 30 no PDB 2BXA . "Human Serum Albumin Complexed With 3-Carboxy-4-Methyl-5- Propyl-2-Furanpropanoic Acid (Cmpf)" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 31 no PDB 2BXB . "Human Serum Albumin Complexed With Oxyphenbutazone" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 32 no PDB 2BXC . "Human Serum Albumin Complexed With Phenylbutazone" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 33 no PDB 2BXD . "Human Serum Albumin Complexed With Warfarin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 34 no PDB 2BXE . "Human Serum Albumin Complexed With Diflunisal" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 35 no PDB 2BXF . "Human Serum Albumin Complexed With Diazepam" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 36 no PDB 2BXG . "Human Serum Albumin Complexed With Ibuprofen" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 37 no PDB 2BXH . "Human Serum Albumin Complexed With Indoxyl Sulfate" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 38 no PDB 2BXI . "Human Serum Albumin Complexed With Myristate And Azapropazone" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 39 no PDB 2BXK . "Human Serum Albumin Complexed With Myristate, Azapropazone And Indomethacin" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 40 no PDB 2BXL . "Human Serum Albumin Complexed With Myristate And 3,5- Diiodosalicylic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 41 no PDB 2BXM . "Human Serum Albumin Complexed With Myristate And Indomethacin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 42 no PDB 2BXN . "Human Serum Albumin Complexed With Myristate And Iodipamide" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 43 no PDB 2BXO . "Human Serum Albumin Complexed With Myristate And Oxyphenbutazone" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 44 no PDB 2BXP . "Human Serum Albumin Complexed With Myristate And Phenylbutazone" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 45 no PDB 2BXQ . "Human Serum Albumin Complexed With Myristate, Phenylbutazone And Indomethacin" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 46 no PDB 2ESG . "Solution Structure Of The Complex Between Immunoglobulin Iga1 And Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 47 no PDB 2I2Z . "Human Serum Albumin Complexed With Myristate And Aspirin" . . . . . 100.00 585 99.66 99.66 0.00e+00 . . . . 16751 1 48 no PDB 2I30 . "Human Serum Albumin Complexed With Myristate And Salicylic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 49 no PDB 2VDB . "Structure Of Human Serum Albumin With S-Naproxen And The Ga Module" . . . . . 98.97 579 99.83 99.83 0.00e+00 . . . . 16751 1 50 no PDB 2VUE . "Human Serum Albumin Complexed With 4z,15e-Bilirubin-Ix- Alpha" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 51 no PDB 2VUF . "Human Serum Albumin Complexed With Fusidic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 52 no PDB 2XSI . "Human Serum Albumin Complexed With Dansyl-L-Glutamate And Myristic Acid" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 53 no PDB 2XVQ . "Human Serum Albumin Complexed With Dansyl-L-Sarcosine" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 54 no PDB 2XVU . "Human Serum Albumin Complexed With Dansyl-L-Asparagine" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 55 no PDB 2XVV . "Human Serum Albumin Complexed With Dansyl-L-Asparagine And Myristic Acid" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 56 no PDB 2XVW . "Human Serum Albumin Complexed With Dansyl-L-Arginine And Myristic Acid" . . . . . 100.00 585 100.00 100.00 0.00e+00 . . . . 16751 1 57 no PDB 2XW0 . "Human Serum Albumin Complexed With Dansyl-L-Phenylalanine" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 58 no PDB 2XW1 . "Human Serum Albumin Complexed With Dansyl-L-Norvaline" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 59 no PDB 2YDF . "Human Serum Albumin Complexed With Iophenoxic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 60 no PDB 3A73 . "Crystal Structure Analysis Of Human Serum Albumin Complexed With Delta 12-prostaglandin J2" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 61 no PDB 3B9L . "Human Serum Albumin Complexed With Myristate And Azt" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 62 no PDB 3B9M . "Human Serum Albumin Complexed With Myristate, 3'-Azido-3'- Deoxythymidine (Azt) And Salicylic Acid" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 63 no PDB 3CX9 . "Crystal Structure Of Human Serum Albumin Complexed With Myristic Acid And Lysophosphatidylethanolamine" . . . . . 99.49 582 99.83 99.83 0.00e+00 . . . . 16751 1 64 no PDB 3JQZ . "Crystal Structure Of Human Serum Albumin Complexed With Lidocaine" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 65 no PDB 3JRY . "Human Serum Albumin With Bound Sulfate" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 66 no PDB 3LU6 . "Human Serum Albumin In Complex With Compound 1" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 67 no PDB 3LU7 . "Human Serum Albumin In Complex With Compound 2" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 68 no PDB 3LU8 . "Human Serum Albumin In Complex With Compound 3" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 69 no PDB 3SQJ . "Recombinant Human Serum Albumin From Transgenic Plant" . . . . . 99.49 582 99.83 99.83 0.00e+00 . . . . 16751 1 70 no PDB 3TDL . "Structure Of Human Serum Albumin In Complex With Dauda" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 71 no PDB 3UIV . "Human Serum Albumin-Myristate-Amantadine Hydrochloride Complex" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 72 no PDB 4BKE . "Recombinant Human Serum Albumin With Palmitic Acid. Synthetic Cationic Antimicrobial Peptides Bind With Their Hydrophobic Parts" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 73 no PDB 4E99 . "Human Serum Albumin Complex With Perfluorooctane Sulfonate Potassium" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 74 no PDB 4EMX . "Crystal Structure Analysis Of Human Serum Albumin In Complex With Chloride Anions At Cryogenic Temperature" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 75 no PDB 4G03 . "High-resolution Crystal Structural Variance Analysis Between Recombinant And Wild-type Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 76 no PDB 4G04 . "High-resolution Crystal Structural Variance Analysis Between Recombinant And Wild-type Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 77 no PDB 4HGK . "Shark Ignar Variable Domain" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 78 no PDB 4HGM . "Shark Ignar Variable Domain" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 79 no PDB 4IW1 . "Hsa-fructose Complex" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 80 no PDB 4IW2 . "Hsa-glucose Complex" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 81 no PDB 4K2C . "Hsa Ligand Free" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 82 no PDB 4K71 . "Crystal Structure Of A High Affinity Human Serum Albumin Variant Bound To The Neonatal Fc Receptor" . . . . . 100.00 585 99.15 99.32 0.00e+00 . . . . 16751 1 83 no PDB 4L8U . "X-ray Study Of Human Serum Albumin Complexed With 9 Amino Camptothecin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 84 no PDB 4L9K . "X-ray Study Of Human Serum Albumin Complexed With Camptothecin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 85 no PDB 4L9Q . "X-ray Study Of Human Serum Albumin Complexed With Teniposide" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 86 no PDB 4LA0 . "X-ray Study Of Human Serum Albumin Complexed With Bicalutamide" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 87 no PDB 4LB2 . "X-ray Study Of Human Serum Albumin Complexed With Idarubicin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 88 no PDB 4LB9 . "X-ray Study Of Human Serum Albumin Complexed With Etoposide" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 89 no PDB 4N0F . "Human Fcrn Complexed With Human Serum Albumin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 90 no PDB 4N0U . "Ternary Complex Between Neonatal Fc Receptor, Serum Albumin And Fc" . . . . . 99.66 583 99.83 99.83 0.00e+00 . . . . 16751 1 91 no PDB 4S1Y . "X-ray Structure Of Human Serum Albumin Complexed With Cisplatin" . . . . . 100.00 585 99.83 99.83 0.00e+00 . . . . 16751 1 92 no DBJ BAF85444 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 608 99.49 99.49 0.00e+00 . . . . 16751 1 93 no DBJ BAG37325 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 609 99.49 99.49 0.00e+00 . . . . 16751 1 94 no DBJ BAG60658 . "unnamed protein product [Homo sapiens]" . . . . . 99.49 618 99.48 99.48 0.00e+00 . . . . 16751 1 95 no EMBL CAA23753 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 609 99.49 99.66 0.00e+00 . . . . 16751 1 96 no EMBL CAA23754 . "serum albumin [Homo sapiens]" . . . . . 100.00 609 99.66 99.83 0.00e+00 . . . . 16751 1 97 no EMBL CAH18185 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 609 98.97 99.49 0.00e+00 . . . . 16751 1 98 no EMBL CAI29688 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 99 no GB AAA98797 . "albumin [Homo sapiens]" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 100 no GB AAA98798 . "alloalbumin Venezia [Homo sapiens]" . . . . . 97.61 604 99.82 99.82 0.00e+00 . . . . 16751 1 101 no GB AAF01333 . "serum albumin precursor [Homo sapiens]" . . . . . 100.00 609 99.49 99.49 0.00e+00 . . . . 16751 1 102 no GB AAF69594 . "PRO0903 [Homo sapiens]" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 103 no GB AAH34023 . "Albumin [Homo sapiens]" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 104 no REF NP_000468 . "serum albumin preproprotein [Homo sapiens]" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 105 no REF NP_001127106 . "serum albumin precursor [Pongo abelii]" . . . . . 100.00 609 98.29 98.97 0.00e+00 . . . . 16751 1 106 no REF XP_003265777 . "PREDICTED: serum albumin isoform X1 [Nomascus leucogenys]" . . . . . 100.00 609 97.09 98.63 0.00e+00 . . . . 16751 1 107 no REF XP_003832390 . "PREDICTED: serum albumin [Pan paniscus]" . . . . . 100.00 609 98.63 99.49 0.00e+00 . . . . 16751 1 108 no REF XP_004038851 . "PREDICTED: serum albumin [Gorilla gorilla gorilla]" . . . . . 100.00 609 98.80 99.15 0.00e+00 . . . . 16751 1 109 no SP P02768 . "RecName: Full=Serum albumin; Flags: Precursor" . . . . . 100.00 609 99.83 99.83 0.00e+00 . . . . 16751 1 110 no SP Q5NVH5 . "RecName: Full=Serum albumin; Flags: Precursor" . . . . . 100.00 609 98.29 98.97 0.00e+00 . . . . 16751 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 16751 1 2 . ALA . 16751 1 3 . HIS . 16751 1 4 . LYS . 16751 1 5 . SER . 16751 1 6 . GLU . 16751 1 7 . VAL . 16751 1 8 . ALA . 16751 1 9 . HIS . 16751 1 10 . ARG . 16751 1 11 . PHE . 16751 1 12 . LYS . 16751 1 13 . ASP . 16751 1 14 . LEU . 16751 1 15 . GLY . 16751 1 16 . GLU . 16751 1 17 . GLU . 16751 1 18 . ASN . 16751 1 19 . PHE . 16751 1 20 . LYS . 16751 1 21 . ALA . 16751 1 22 . LEU . 16751 1 23 . VAL . 16751 1 24 . LEU . 16751 1 25 . ILE . 16751 1 26 . ALA . 16751 1 27 . PHE . 16751 1 28 . ALA . 16751 1 29 . GLN . 16751 1 30 . TYR . 16751 1 31 . LEU . 16751 1 32 . GLN . 16751 1 33 . GLN . 16751 1 34 . CYS . 16751 1 35 . PRO . 16751 1 36 . PHE . 16751 1 37 . GLU . 16751 1 38 . ASP . 16751 1 39 . HIS . 16751 1 40 . VAL . 16751 1 41 . LYS . 16751 1 42 . LEU . 16751 1 43 . VAL . 16751 1 44 . ASN . 16751 1 45 . GLU . 16751 1 46 . VAL . 16751 1 47 . THR . 16751 1 48 . GLU . 16751 1 49 . PHE . 16751 1 50 . ALA . 16751 1 51 . LYS . 16751 1 52 . THR . 16751 1 53 . CYS . 16751 1 54 . VAL . 16751 1 55 . ALA . 16751 1 56 . ASP . 16751 1 57 . GLU . 16751 1 58 . SER . 16751 1 59 . ALA . 16751 1 60 . GLU . 16751 1 61 . ASN . 16751 1 62 . CYS . 16751 1 63 . ASP . 16751 1 64 . LYS . 16751 1 65 . SER . 16751 1 66 . LEU . 16751 1 67 . HIS . 16751 1 68 . THR . 16751 1 69 . LEU . 16751 1 70 . PHE . 16751 1 71 . GLY . 16751 1 72 . ASP . 16751 1 73 . LYS . 16751 1 74 . LEU . 16751 1 75 . CYS . 16751 1 76 . THR . 16751 1 77 . VAL . 16751 1 78 . ALA . 16751 1 79 . THR . 16751 1 80 . LEU . 16751 1 81 . ARG . 16751 1 82 . GLU . 16751 1 83 . THR . 16751 1 84 . TYR . 16751 1 85 . GLY . 16751 1 86 . GLU . 16751 1 87 . MET . 16751 1 88 . ALA . 16751 1 89 . ASP . 16751 1 90 . CYS . 16751 1 91 . CYS . 16751 1 92 . ALA . 16751 1 93 . LYS . 16751 1 94 . GLN . 16751 1 95 . GLU . 16751 1 96 . PRO . 16751 1 97 . GLU . 16751 1 98 . ARG . 16751 1 99 . ASN . 16751 1 100 . GLU . 16751 1 101 . CYS . 16751 1 102 . PHE . 16751 1 103 . LEU . 16751 1 104 . GLN . 16751 1 105 . HIS . 16751 1 106 . LYS . 16751 1 107 . ASP . 16751 1 108 . ASP . 16751 1 109 . ASN . 16751 1 110 . PRO . 16751 1 111 . ASN . 16751 1 112 . LEU . 16751 1 113 . PRO . 16751 1 114 . ARG . 16751 1 115 . LEU . 16751 1 116 . VAL . 16751 1 117 . ARG . 16751 1 118 . PRO . 16751 1 119 . GLU . 16751 1 120 . VAL . 16751 1 121 . ASP . 16751 1 122 . VAL . 16751 1 123 . MET . 16751 1 124 . CYS . 16751 1 125 . THR . 16751 1 126 . ALA . 16751 1 127 . PHE . 16751 1 128 . HIS . 16751 1 129 . ASP . 16751 1 130 . ASN . 16751 1 131 . GLU . 16751 1 132 . GLU . 16751 1 133 . THR . 16751 1 134 . PHE . 16751 1 135 . LEU . 16751 1 136 . LYS . 16751 1 137 . LYS . 16751 1 138 . TYR . 16751 1 139 . LEU . 16751 1 140 . TYR . 16751 1 141 . GLU . 16751 1 142 . ILE . 16751 1 143 . ALA . 16751 1 144 . ARG . 16751 1 145 . ARG . 16751 1 146 . HIS . 16751 1 147 . PRO . 16751 1 148 . TYR . 16751 1 149 . PHE . 16751 1 150 . TYR . 16751 1 151 . ALA . 16751 1 152 . PRO . 16751 1 153 . GLU . 16751 1 154 . LEU . 16751 1 155 . LEU . 16751 1 156 . PHE . 16751 1 157 . PHE . 16751 1 158 . ALA . 16751 1 159 . LYS . 16751 1 160 . ARG . 16751 1 161 . TYR . 16751 1 162 . LYS . 16751 1 163 . ALA . 16751 1 164 . ALA . 16751 1 165 . PHE . 16751 1 166 . THR . 16751 1 167 . GLU . 16751 1 168 . CYS . 16751 1 169 . CYS . 16751 1 170 . GLN . 16751 1 171 . ALA . 16751 1 172 . ALA . 16751 1 173 . ASP . 16751 1 174 . LYS . 16751 1 175 . ALA . 16751 1 176 . ALA . 16751 1 177 . CYS . 16751 1 178 . LEU . 16751 1 179 . LEU . 16751 1 180 . PRO . 16751 1 181 . LYS . 16751 1 182 . LEU . 16751 1 183 . ASP . 16751 1 184 . GLU . 16751 1 185 . LEU . 16751 1 186 . ARG . 16751 1 187 . ASP . 16751 1 188 . GLU . 16751 1 189 . GLY . 16751 1 190 . LYS . 16751 1 191 . ALA . 16751 1 192 . SER . 16751 1 193 . SER . 16751 1 194 . ALA . 16751 1 195 . LYS . 16751 1 196 . GLN . 16751 1 197 . ARG . 16751 1 198 . LEU . 16751 1 199 . LYS . 16751 1 200 . CYS . 16751 1 201 . ALA . 16751 1 202 . SER . 16751 1 203 . LEU . 16751 1 204 . GLN . 16751 1 205 . LYS . 16751 1 206 . PHE . 16751 1 207 . GLY . 16751 1 208 . GLU . 16751 1 209 . ARG . 16751 1 210 . ALA . 16751 1 211 . PHE . 16751 1 212 . LYS . 16751 1 213 . ALA . 16751 1 214 . TRP . 16751 1 215 . ALA . 16751 1 216 . VAL . 16751 1 217 . ALA . 16751 1 218 . ARG . 16751 1 219 . LEU . 16751 1 220 . SER . 16751 1 221 . GLN . 16751 1 222 . ARG . 16751 1 223 . PHE . 16751 1 224 . PRO . 16751 1 225 . LYS . 16751 1 226 . ALA . 16751 1 227 . GLU . 16751 1 228 . PHE . 16751 1 229 . ALA . 16751 1 230 . GLU . 16751 1 231 . VAL . 16751 1 232 . SER . 16751 1 233 . LYS . 16751 1 234 . LEU . 16751 1 235 . VAL . 16751 1 236 . THR . 16751 1 237 . ASP . 16751 1 238 . LEU . 16751 1 239 . THR . 16751 1 240 . LYS . 16751 1 241 . VAL . 16751 1 242 . HIS . 16751 1 243 . THR . 16751 1 244 . GLU . 16751 1 245 . CYS . 16751 1 246 . CYS . 16751 1 247 . HIS . 16751 1 248 . GLY . 16751 1 249 . ASP . 16751 1 250 . LEU . 16751 1 251 . LEU . 16751 1 252 . GLU . 16751 1 253 . CYS . 16751 1 254 . ALA . 16751 1 255 . ASP . 16751 1 256 . ASP . 16751 1 257 . ARG . 16751 1 258 . ALA . 16751 1 259 . ASP . 16751 1 260 . LEU . 16751 1 261 . ALA . 16751 1 262 . LYS . 16751 1 263 . TYR . 16751 1 264 . ILE . 16751 1 265 . CYS . 16751 1 266 . GLU . 16751 1 267 . ASN . 16751 1 268 . GLN . 16751 1 269 . ASP . 16751 1 270 . SER . 16751 1 271 . ILE . 16751 1 272 . SER . 16751 1 273 . SER . 16751 1 274 . LYS . 16751 1 275 . LEU . 16751 1 276 . LYS . 16751 1 277 . GLU . 16751 1 278 . CYS . 16751 1 279 . CYS . 16751 1 280 . GLU . 16751 1 281 . LYS . 16751 1 282 . PRO . 16751 1 283 . LEU . 16751 1 284 . LEU . 16751 1 285 . GLU . 16751 1 286 . LYS . 16751 1 287 . SER . 16751 1 288 . HIS . 16751 1 289 . CYS . 16751 1 290 . ILE . 16751 1 291 . ALA . 16751 1 292 . GLU . 16751 1 293 . VAL . 16751 1 294 . GLU . 16751 1 295 . ASN . 16751 1 296 . ASP . 16751 1 297 . GLU . 16751 1 298 . MET . 16751 1 299 . PRO . 16751 1 300 . ALA . 16751 1 301 . ASP . 16751 1 302 . LEU . 16751 1 303 . PRO . 16751 1 304 . SER . 16751 1 305 . LEU . 16751 1 306 . ALA . 16751 1 307 . ALA . 16751 1 308 . ASP . 16751 1 309 . PHE . 16751 1 310 . VAL . 16751 1 311 . GLU . 16751 1 312 . SER . 16751 1 313 . LYS . 16751 1 314 . ASP . 16751 1 315 . VAL . 16751 1 316 . CYS . 16751 1 317 . LYS . 16751 1 318 . ASN . 16751 1 319 . TYR . 16751 1 320 . ALA . 16751 1 321 . GLU . 16751 1 322 . ALA . 16751 1 323 . LYS . 16751 1 324 . ASP . 16751 1 325 . VAL . 16751 1 326 . PHE . 16751 1 327 . LEU . 16751 1 328 . GLY . 16751 1 329 . MET . 16751 1 330 . PHE . 16751 1 331 . LEU . 16751 1 332 . TYR . 16751 1 333 . GLU . 16751 1 334 . TYR . 16751 1 335 . ALA . 16751 1 336 . ARG . 16751 1 337 . ARG . 16751 1 338 . HIS . 16751 1 339 . PRO . 16751 1 340 . ASP . 16751 1 341 . TYR . 16751 1 342 . SER . 16751 1 343 . VAL . 16751 1 344 . VAL . 16751 1 345 . LEU . 16751 1 346 . LEU . 16751 1 347 . LEU . 16751 1 348 . ARG . 16751 1 349 . LEU . 16751 1 350 . ALA . 16751 1 351 . LYS . 16751 1 352 . THR . 16751 1 353 . TYR . 16751 1 354 . GLU . 16751 1 355 . THR . 16751 1 356 . THR . 16751 1 357 . LEU . 16751 1 358 . GLU . 16751 1 359 . LYS . 16751 1 360 . CYS . 16751 1 361 . CYS . 16751 1 362 . ALA . 16751 1 363 . ALA . 16751 1 364 . ALA . 16751 1 365 . ASP . 16751 1 366 . PRO . 16751 1 367 . HIS . 16751 1 368 . GLU . 16751 1 369 . CYS . 16751 1 370 . TYR . 16751 1 371 . ALA . 16751 1 372 . LYS . 16751 1 373 . VAL . 16751 1 374 . PHE . 16751 1 375 . ASP . 16751 1 376 . GLU . 16751 1 377 . PHE . 16751 1 378 . LYS . 16751 1 379 . PRO . 16751 1 380 . LEU . 16751 1 381 . VAL . 16751 1 382 . GLU . 16751 1 383 . GLU . 16751 1 384 . PRO . 16751 1 385 . GLN . 16751 1 386 . ASN . 16751 1 387 . LEU . 16751 1 388 . ILE . 16751 1 389 . LYS . 16751 1 390 . GLN . 16751 1 391 . ASN . 16751 1 392 . CYS . 16751 1 393 . GLU . 16751 1 394 . LEU . 16751 1 395 . PHE . 16751 1 396 . GLU . 16751 1 397 . GLN . 16751 1 398 . LEU . 16751 1 399 . GLY . 16751 1 400 . GLU . 16751 1 401 . TYR . 16751 1 402 . LYS . 16751 1 403 . PHE . 16751 1 404 . GLN . 16751 1 405 . ASN . 16751 1 406 . ALA . 16751 1 407 . LEU . 16751 1 408 . LEU . 16751 1 409 . VAL . 16751 1 410 . ARG . 16751 1 411 . TYR . 16751 1 412 . THR . 16751 1 413 . LYS . 16751 1 414 . LYS . 16751 1 415 . VAL . 16751 1 416 . PRO . 16751 1 417 . GLN . 16751 1 418 . VAL . 16751 1 419 . SER . 16751 1 420 . THR . 16751 1 421 . PRO . 16751 1 422 . THR . 16751 1 423 . LEU . 16751 1 424 . VAL . 16751 1 425 . GLU . 16751 1 426 . VAL . 16751 1 427 . SER . 16751 1 428 . ARG . 16751 1 429 . ASN . 16751 1 430 . LEU . 16751 1 431 . GLY . 16751 1 432 . LYS . 16751 1 433 . VAL . 16751 1 434 . GLY . 16751 1 435 . SER . 16751 1 436 . LYS . 16751 1 437 . CYS . 16751 1 438 . CYS . 16751 1 439 . LYS . 16751 1 440 . HIS . 16751 1 441 . PRO . 16751 1 442 . GLU . 16751 1 443 . ALA . 16751 1 444 . LYS . 16751 1 445 . ARG . 16751 1 446 . MET . 16751 1 447 . PRO . 16751 1 448 . CYS . 16751 1 449 . ALA . 16751 1 450 . GLU . 16751 1 451 . ASP . 16751 1 452 . TYR . 16751 1 453 . LEU . 16751 1 454 . SER . 16751 1 455 . VAL . 16751 1 456 . VAL . 16751 1 457 . LEU . 16751 1 458 . ASN . 16751 1 459 . GLN . 16751 1 460 . LEU . 16751 1 461 . CYS . 16751 1 462 . VAL . 16751 1 463 . LEU . 16751 1 464 . HIS . 16751 1 465 . GLU . 16751 1 466 . LYS . 16751 1 467 . THR . 16751 1 468 . PRO . 16751 1 469 . VAL . 16751 1 470 . SER . 16751 1 471 . ASP . 16751 1 472 . ARG . 16751 1 473 . VAL . 16751 1 474 . THR . 16751 1 475 . LYS . 16751 1 476 . CYS . 16751 1 477 . CYS . 16751 1 478 . THR . 16751 1 479 . GLU . 16751 1 480 . SER . 16751 1 481 . LEU . 16751 1 482 . VAL . 16751 1 483 . ASN . 16751 1 484 . ARG . 16751 1 485 . ARG . 16751 1 486 . PRO . 16751 1 487 . CYS . 16751 1 488 . PHE . 16751 1 489 . SER . 16751 1 490 . ALA . 16751 1 491 . LEU . 16751 1 492 . GLU . 16751 1 493 . VAL . 16751 1 494 . ASP . 16751 1 495 . GLU . 16751 1 496 . THR . 16751 1 497 . TYR . 16751 1 498 . VAL . 16751 1 499 . PRO . 16751 1 500 . LYS . 16751 1 501 . GLU . 16751 1 502 . PHE . 16751 1 503 . ASN . 16751 1 504 . ALA . 16751 1 505 . GLU . 16751 1 506 . THR . 16751 1 507 . PHE . 16751 1 508 . THR . 16751 1 509 . PHE . 16751 1 510 . HIS . 16751 1 511 . ALA . 16751 1 512 . ASP . 16751 1 513 . ILE . 16751 1 514 . CYS . 16751 1 515 . THR . 16751 1 516 . LEU . 16751 1 517 . SER . 16751 1 518 . GLU . 16751 1 519 . LYS . 16751 1 520 . GLU . 16751 1 521 . GLU . 16751 1 522 . GLN . 16751 1 523 . ILE . 16751 1 524 . LYS . 16751 1 525 . LYS . 16751 1 526 . GLN . 16751 1 527 . THR . 16751 1 528 . ALA . 16751 1 529 . LEU . 16751 1 530 . VAL . 16751 1 531 . GLU . 16751 1 532 . LEU . 16751 1 533 . VAL . 16751 1 534 . LYS . 16751 1 535 . HIS . 16751 1 536 . LYS . 16751 1 537 . PRO . 16751 1 538 . LYS . 16751 1 539 . ALA . 16751 1 540 . THR . 16751 1 541 . LYS . 16751 1 542 . GLU . 16751 1 543 . GLN . 16751 1 544 . LEU . 16751 1 545 . LYS . 16751 1 546 . ALA . 16751 1 547 . VAL . 16751 1 548 . MET . 16751 1 549 . ASP . 16751 1 550 . ASP . 16751 1 551 . PHE . 16751 1 552 . ALA . 16751 1 553 . ALA . 16751 1 554 . PHE . 16751 1 555 . VAL . 16751 1 556 . GLU . 16751 1 557 . LYS . 16751 1 558 . CYS . 16751 1 559 . CYS . 16751 1 560 . LYS . 16751 1 561 . ALA . 16751 1 562 . ASP . 16751 1 563 . ASP . 16751 1 564 . LYS . 16751 1 565 . GLU . 16751 1 566 . THR . 16751 1 567 . CYS . 16751 1 568 . PHE . 16751 1 569 . ALA . 16751 1 570 . GLU . 16751 1 571 . GLU . 16751 1 572 . GLY . 16751 1 573 . LYS . 16751 1 574 . LYS . 16751 1 575 . LEU . 16751 1 576 . VAL . 16751 1 577 . ALA . 16751 1 578 . ALA . 16751 1 579 . SER . 16751 1 580 . GLN . 16751 1 581 . ALA . 16751 1 582 . ALA . 16751 1 583 . LEU . 16751 1 584 . GLY . 16751 1 585 . LEU . 16751 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 16751 1 . ALA 2 2 16751 1 . HIS 3 3 16751 1 . LYS 4 4 16751 1 . SER 5 5 16751 1 . GLU 6 6 16751 1 . VAL 7 7 16751 1 . ALA 8 8 16751 1 . HIS 9 9 16751 1 . ARG 10 10 16751 1 . PHE 11 11 16751 1 . LYS 12 12 16751 1 . ASP 13 13 16751 1 . LEU 14 14 16751 1 . GLY 15 15 16751 1 . GLU 16 16 16751 1 . GLU 17 17 16751 1 . ASN 18 18 16751 1 . PHE 19 19 16751 1 . LYS 20 20 16751 1 . ALA 21 21 16751 1 . LEU 22 22 16751 1 . VAL 23 23 16751 1 . LEU 24 24 16751 1 . ILE 25 25 16751 1 . ALA 26 26 16751 1 . PHE 27 27 16751 1 . ALA 28 28 16751 1 . GLN 29 29 16751 1 . TYR 30 30 16751 1 . LEU 31 31 16751 1 . GLN 32 32 16751 1 . GLN 33 33 16751 1 . CYS 34 34 16751 1 . PRO 35 35 16751 1 . PHE 36 36 16751 1 . GLU 37 37 16751 1 . ASP 38 38 16751 1 . HIS 39 39 16751 1 . VAL 40 40 16751 1 . LYS 41 41 16751 1 . LEU 42 42 16751 1 . VAL 43 43 16751 1 . ASN 44 44 16751 1 . GLU 45 45 16751 1 . VAL 46 46 16751 1 . THR 47 47 16751 1 . GLU 48 48 16751 1 . PHE 49 49 16751 1 . ALA 50 50 16751 1 . LYS 51 51 16751 1 . THR 52 52 16751 1 . CYS 53 53 16751 1 . VAL 54 54 16751 1 . ALA 55 55 16751 1 . ASP 56 56 16751 1 . GLU 57 57 16751 1 . SER 58 58 16751 1 . ALA 59 59 16751 1 . GLU 60 60 16751 1 . ASN 61 61 16751 1 . CYS 62 62 16751 1 . ASP 63 63 16751 1 . LYS 64 64 16751 1 . SER 65 65 16751 1 . LEU 66 66 16751 1 . HIS 67 67 16751 1 . THR 68 68 16751 1 . LEU 69 69 16751 1 . PHE 70 70 16751 1 . GLY 71 71 16751 1 . ASP 72 72 16751 1 . LYS 73 73 16751 1 . LEU 74 74 16751 1 . CYS 75 75 16751 1 . THR 76 76 16751 1 . VAL 77 77 16751 1 . ALA 78 78 16751 1 . THR 79 79 16751 1 . LEU 80 80 16751 1 . ARG 81 81 16751 1 . GLU 82 82 16751 1 . THR 83 83 16751 1 . TYR 84 84 16751 1 . GLY 85 85 16751 1 . GLU 86 86 16751 1 . MET 87 87 16751 1 . ALA 88 88 16751 1 . ASP 89 89 16751 1 . CYS 90 90 16751 1 . CYS 91 91 16751 1 . ALA 92 92 16751 1 . LYS 93 93 16751 1 . GLN 94 94 16751 1 . GLU 95 95 16751 1 . PRO 96 96 16751 1 . GLU 97 97 16751 1 . ARG 98 98 16751 1 . ASN 99 99 16751 1 . GLU 100 100 16751 1 . CYS 101 101 16751 1 . PHE 102 102 16751 1 . LEU 103 103 16751 1 . GLN 104 104 16751 1 . HIS 105 105 16751 1 . LYS 106 106 16751 1 . ASP 107 107 16751 1 . ASP 108 108 16751 1 . ASN 109 109 16751 1 . PRO 110 110 16751 1 . ASN 111 111 16751 1 . LEU 112 112 16751 1 . PRO 113 113 16751 1 . ARG 114 114 16751 1 . LEU 115 115 16751 1 . VAL 116 116 16751 1 . ARG 117 117 16751 1 . PRO 118 118 16751 1 . GLU 119 119 16751 1 . VAL 120 120 16751 1 . ASP 121 121 16751 1 . VAL 122 122 16751 1 . MET 123 123 16751 1 . CYS 124 124 16751 1 . THR 125 125 16751 1 . ALA 126 126 16751 1 . PHE 127 127 16751 1 . HIS 128 128 16751 1 . ASP 129 129 16751 1 . ASN 130 130 16751 1 . GLU 131 131 16751 1 . GLU 132 132 16751 1 . THR 133 133 16751 1 . PHE 134 134 16751 1 . LEU 135 135 16751 1 . LYS 136 136 16751 1 . LYS 137 137 16751 1 . TYR 138 138 16751 1 . LEU 139 139 16751 1 . TYR 140 140 16751 1 . GLU 141 141 16751 1 . ILE 142 142 16751 1 . ALA 143 143 16751 1 . ARG 144 144 16751 1 . ARG 145 145 16751 1 . HIS 146 146 16751 1 . PRO 147 147 16751 1 . TYR 148 148 16751 1 . PHE 149 149 16751 1 . TYR 150 150 16751 1 . ALA 151 151 16751 1 . PRO 152 152 16751 1 . GLU 153 153 16751 1 . LEU 154 154 16751 1 . LEU 155 155 16751 1 . PHE 156 156 16751 1 . PHE 157 157 16751 1 . ALA 158 158 16751 1 . LYS 159 159 16751 1 . ARG 160 160 16751 1 . TYR 161 161 16751 1 . LYS 162 162 16751 1 . ALA 163 163 16751 1 . ALA 164 164 16751 1 . PHE 165 165 16751 1 . THR 166 166 16751 1 . GLU 167 167 16751 1 . CYS 168 168 16751 1 . CYS 169 169 16751 1 . GLN 170 170 16751 1 . ALA 171 171 16751 1 . ALA 172 172 16751 1 . ASP 173 173 16751 1 . LYS 174 174 16751 1 . ALA 175 175 16751 1 . ALA 176 176 16751 1 . CYS 177 177 16751 1 . LEU 178 178 16751 1 . LEU 179 179 16751 1 . PRO 180 180 16751 1 . LYS 181 181 16751 1 . LEU 182 182 16751 1 . ASP 183 183 16751 1 . GLU 184 184 16751 1 . LEU 185 185 16751 1 . ARG 186 186 16751 1 . ASP 187 187 16751 1 . GLU 188 188 16751 1 . GLY 189 189 16751 1 . LYS 190 190 16751 1 . ALA 191 191 16751 1 . SER 192 192 16751 1 . SER 193 193 16751 1 . ALA 194 194 16751 1 . LYS 195 195 16751 1 . GLN 196 196 16751 1 . ARG 197 197 16751 1 . LEU 198 198 16751 1 . LYS 199 199 16751 1 . CYS 200 200 16751 1 . ALA 201 201 16751 1 . SER 202 202 16751 1 . LEU 203 203 16751 1 . GLN 204 204 16751 1 . LYS 205 205 16751 1 . PHE 206 206 16751 1 . GLY 207 207 16751 1 . GLU 208 208 16751 1 . ARG 209 209 16751 1 . ALA 210 210 16751 1 . PHE 211 211 16751 1 . LYS 212 212 16751 1 . ALA 213 213 16751 1 . TRP 214 214 16751 1 . ALA 215 215 16751 1 . VAL 216 216 16751 1 . ALA 217 217 16751 1 . ARG 218 218 16751 1 . LEU 219 219 16751 1 . SER 220 220 16751 1 . GLN 221 221 16751 1 . ARG 222 222 16751 1 . PHE 223 223 16751 1 . PRO 224 224 16751 1 . LYS 225 225 16751 1 . ALA 226 226 16751 1 . GLU 227 227 16751 1 . PHE 228 228 16751 1 . ALA 229 229 16751 1 . GLU 230 230 16751 1 . VAL 231 231 16751 1 . SER 232 232 16751 1 . LYS 233 233 16751 1 . LEU 234 234 16751 1 . VAL 235 235 16751 1 . THR 236 236 16751 1 . ASP 237 237 16751 1 . LEU 238 238 16751 1 . THR 239 239 16751 1 . LYS 240 240 16751 1 . VAL 241 241 16751 1 . HIS 242 242 16751 1 . THR 243 243 16751 1 . GLU 244 244 16751 1 . CYS 245 245 16751 1 . CYS 246 246 16751 1 . HIS 247 247 16751 1 . GLY 248 248 16751 1 . ASP 249 249 16751 1 . LEU 250 250 16751 1 . LEU 251 251 16751 1 . GLU 252 252 16751 1 . CYS 253 253 16751 1 . ALA 254 254 16751 1 . ASP 255 255 16751 1 . ASP 256 256 16751 1 . ARG 257 257 16751 1 . ALA 258 258 16751 1 . ASP 259 259 16751 1 . LEU 260 260 16751 1 . ALA 261 261 16751 1 . LYS 262 262 16751 1 . TYR 263 263 16751 1 . ILE 264 264 16751 1 . CYS 265 265 16751 1 . GLU 266 266 16751 1 . ASN 267 267 16751 1 . GLN 268 268 16751 1 . ASP 269 269 16751 1 . SER 270 270 16751 1 . ILE 271 271 16751 1 . SER 272 272 16751 1 . SER 273 273 16751 1 . LYS 274 274 16751 1 . LEU 275 275 16751 1 . LYS 276 276 16751 1 . GLU 277 277 16751 1 . CYS 278 278 16751 1 . CYS 279 279 16751 1 . GLU 280 280 16751 1 . LYS 281 281 16751 1 . PRO 282 282 16751 1 . LEU 283 283 16751 1 . LEU 284 284 16751 1 . GLU 285 285 16751 1 . LYS 286 286 16751 1 . SER 287 287 16751 1 . HIS 288 288 16751 1 . CYS 289 289 16751 1 . ILE 290 290 16751 1 . ALA 291 291 16751 1 . GLU 292 292 16751 1 . VAL 293 293 16751 1 . GLU 294 294 16751 1 . ASN 295 295 16751 1 . ASP 296 296 16751 1 . GLU 297 297 16751 1 . MET 298 298 16751 1 . PRO 299 299 16751 1 . ALA 300 300 16751 1 . ASP 301 301 16751 1 . LEU 302 302 16751 1 . PRO 303 303 16751 1 . SER 304 304 16751 1 . LEU 305 305 16751 1 . ALA 306 306 16751 1 . ALA 307 307 16751 1 . ASP 308 308 16751 1 . PHE 309 309 16751 1 . VAL 310 310 16751 1 . GLU 311 311 16751 1 . SER 312 312 16751 1 . LYS 313 313 16751 1 . ASP 314 314 16751 1 . VAL 315 315 16751 1 . CYS 316 316 16751 1 . LYS 317 317 16751 1 . ASN 318 318 16751 1 . TYR 319 319 16751 1 . ALA 320 320 16751 1 . GLU 321 321 16751 1 . ALA 322 322 16751 1 . LYS 323 323 16751 1 . ASP 324 324 16751 1 . VAL 325 325 16751 1 . PHE 326 326 16751 1 . LEU 327 327 16751 1 . GLY 328 328 16751 1 . MET 329 329 16751 1 . PHE 330 330 16751 1 . LEU 331 331 16751 1 . TYR 332 332 16751 1 . GLU 333 333 16751 1 . TYR 334 334 16751 1 . ALA 335 335 16751 1 . ARG 336 336 16751 1 . ARG 337 337 16751 1 . HIS 338 338 16751 1 . PRO 339 339 16751 1 . ASP 340 340 16751 1 . TYR 341 341 16751 1 . SER 342 342 16751 1 . VAL 343 343 16751 1 . VAL 344 344 16751 1 . LEU 345 345 16751 1 . LEU 346 346 16751 1 . LEU 347 347 16751 1 . ARG 348 348 16751 1 . LEU 349 349 16751 1 . ALA 350 350 16751 1 . LYS 351 351 16751 1 . THR 352 352 16751 1 . TYR 353 353 16751 1 . GLU 354 354 16751 1 . THR 355 355 16751 1 . THR 356 356 16751 1 . LEU 357 357 16751 1 . GLU 358 358 16751 1 . LYS 359 359 16751 1 . CYS 360 360 16751 1 . CYS 361 361 16751 1 . ALA 362 362 16751 1 . ALA 363 363 16751 1 . ALA 364 364 16751 1 . ASP 365 365 16751 1 . PRO 366 366 16751 1 . HIS 367 367 16751 1 . GLU 368 368 16751 1 . CYS 369 369 16751 1 . TYR 370 370 16751 1 . ALA 371 371 16751 1 . LYS 372 372 16751 1 . VAL 373 373 16751 1 . PHE 374 374 16751 1 . ASP 375 375 16751 1 . GLU 376 376 16751 1 . PHE 377 377 16751 1 . LYS 378 378 16751 1 . PRO 379 379 16751 1 . LEU 380 380 16751 1 . VAL 381 381 16751 1 . GLU 382 382 16751 1 . GLU 383 383 16751 1 . PRO 384 384 16751 1 . GLN 385 385 16751 1 . ASN 386 386 16751 1 . LEU 387 387 16751 1 . ILE 388 388 16751 1 . LYS 389 389 16751 1 . GLN 390 390 16751 1 . ASN 391 391 16751 1 . CYS 392 392 16751 1 . GLU 393 393 16751 1 . LEU 394 394 16751 1 . PHE 395 395 16751 1 . GLU 396 396 16751 1 . GLN 397 397 16751 1 . LEU 398 398 16751 1 . GLY 399 399 16751 1 . GLU 400 400 16751 1 . TYR 401 401 16751 1 . LYS 402 402 16751 1 . PHE 403 403 16751 1 . GLN 404 404 16751 1 . ASN 405 405 16751 1 . ALA 406 406 16751 1 . LEU 407 407 16751 1 . LEU 408 408 16751 1 . VAL 409 409 16751 1 . ARG 410 410 16751 1 . TYR 411 411 16751 1 . THR 412 412 16751 1 . LYS 413 413 16751 1 . LYS 414 414 16751 1 . VAL 415 415 16751 1 . PRO 416 416 16751 1 . GLN 417 417 16751 1 . VAL 418 418 16751 1 . SER 419 419 16751 1 . THR 420 420 16751 1 . PRO 421 421 16751 1 . THR 422 422 16751 1 . LEU 423 423 16751 1 . VAL 424 424 16751 1 . GLU 425 425 16751 1 . VAL 426 426 16751 1 . SER 427 427 16751 1 . ARG 428 428 16751 1 . ASN 429 429 16751 1 . LEU 430 430 16751 1 . GLY 431 431 16751 1 . LYS 432 432 16751 1 . VAL 433 433 16751 1 . GLY 434 434 16751 1 . SER 435 435 16751 1 . LYS 436 436 16751 1 . CYS 437 437 16751 1 . CYS 438 438 16751 1 . LYS 439 439 16751 1 . HIS 440 440 16751 1 . PRO 441 441 16751 1 . GLU 442 442 16751 1 . ALA 443 443 16751 1 . LYS 444 444 16751 1 . ARG 445 445 16751 1 . MET 446 446 16751 1 . PRO 447 447 16751 1 . CYS 448 448 16751 1 . ALA 449 449 16751 1 . GLU 450 450 16751 1 . ASP 451 451 16751 1 . TYR 452 452 16751 1 . LEU 453 453 16751 1 . SER 454 454 16751 1 . VAL 455 455 16751 1 . VAL 456 456 16751 1 . LEU 457 457 16751 1 . ASN 458 458 16751 1 . GLN 459 459 16751 1 . LEU 460 460 16751 1 . CYS 461 461 16751 1 . VAL 462 462 16751 1 . LEU 463 463 16751 1 . HIS 464 464 16751 1 . GLU 465 465 16751 1 . LYS 466 466 16751 1 . THR 467 467 16751 1 . PRO 468 468 16751 1 . VAL 469 469 16751 1 . SER 470 470 16751 1 . ASP 471 471 16751 1 . ARG 472 472 16751 1 . VAL 473 473 16751 1 . THR 474 474 16751 1 . LYS 475 475 16751 1 . CYS 476 476 16751 1 . CYS 477 477 16751 1 . THR 478 478 16751 1 . GLU 479 479 16751 1 . SER 480 480 16751 1 . LEU 481 481 16751 1 . VAL 482 482 16751 1 . ASN 483 483 16751 1 . ARG 484 484 16751 1 . ARG 485 485 16751 1 . PRO 486 486 16751 1 . CYS 487 487 16751 1 . PHE 488 488 16751 1 . SER 489 489 16751 1 . ALA 490 490 16751 1 . LEU 491 491 16751 1 . GLU 492 492 16751 1 . VAL 493 493 16751 1 . ASP 494 494 16751 1 . GLU 495 495 16751 1 . THR 496 496 16751 1 . TYR 497 497 16751 1 . VAL 498 498 16751 1 . PRO 499 499 16751 1 . LYS 500 500 16751 1 . GLU 501 501 16751 1 . PHE 502 502 16751 1 . ASN 503 503 16751 1 . ALA 504 504 16751 1 . GLU 505 505 16751 1 . THR 506 506 16751 1 . PHE 507 507 16751 1 . THR 508 508 16751 1 . PHE 509 509 16751 1 . HIS 510 510 16751 1 . ALA 511 511 16751 1 . ASP 512 512 16751 1 . ILE 513 513 16751 1 . CYS 514 514 16751 1 . THR 515 515 16751 1 . LEU 516 516 16751 1 . SER 517 517 16751 1 . GLU 518 518 16751 1 . LYS 519 519 16751 1 . GLU 520 520 16751 1 . GLU 521 521 16751 1 . GLN 522 522 16751 1 . ILE 523 523 16751 1 . LYS 524 524 16751 1 . LYS 525 525 16751 1 . GLN 526 526 16751 1 . THR 527 527 16751 1 . ALA 528 528 16751 1 . LEU 529 529 16751 1 . VAL 530 530 16751 1 . GLU 531 531 16751 1 . LEU 532 532 16751 1 . VAL 533 533 16751 1 . LYS 534 534 16751 1 . HIS 535 535 16751 1 . LYS 536 536 16751 1 . PRO 537 537 16751 1 . LYS 538 538 16751 1 . ALA 539 539 16751 1 . THR 540 540 16751 1 . LYS 541 541 16751 1 . GLU 542 542 16751 1 . GLN 543 543 16751 1 . LEU 544 544 16751 1 . LYS 545 545 16751 1 . ALA 546 546 16751 1 . VAL 547 547 16751 1 . MET 548 548 16751 1 . ASP 549 549 16751 1 . ASP 550 550 16751 1 . PHE 551 551 16751 1 . ALA 552 552 16751 1 . ALA 553 553 16751 1 . PHE 554 554 16751 1 . VAL 555 555 16751 1 . GLU 556 556 16751 1 . LYS 557 557 16751 1 . CYS 558 558 16751 1 . CYS 559 559 16751 1 . LYS 560 560 16751 1 . ALA 561 561 16751 1 . ASP 562 562 16751 1 . ASP 563 563 16751 1 . LYS 564 564 16751 1 . GLU 565 565 16751 1 . THR 566 566 16751 1 . CYS 567 567 16751 1 . PHE 568 568 16751 1 . ALA 569 569 16751 1 . GLU 570 570 16751 1 . GLU 571 571 16751 1 . GLY 572 572 16751 1 . LYS 573 573 16751 1 . LYS 574 574 16751 1 . LEU 575 575 16751 1 . VAL 576 576 16751 1 . ALA 577 577 16751 1 . ALA 578 578 16751 1 . SER 579 579 16751 1 . GLN 580 580 16751 1 . ALA 581 581 16751 1 . ALA 582 582 16751 1 . LEU 583 583 16751 1 . GLY 584 584 16751 1 . LEU 585 585 16751 1 stop_ save_ save_SAL _Entity.Sf_category entity _Entity.Sf_framecode SAL _Entity.Entry_ID 16751 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SAL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID SAL _Entity.Nonpolymer_comp_label $chem_comp_SAL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SAL . 16751 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16751 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HSA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16751 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16751 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HSA . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16751 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAL _Chem_comp.Entry_ID 16751 _Chem_comp.ID SAL _Chem_comp.Provenance . _Chem_comp.Name '2-HYDROXYBENZOIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code SAL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SAL _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'SALICYLIC ACID' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C7 H6 O3' _Chem_comp.Formula_weight 138.121 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FO4 _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:13:08 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1ccc(c(c1)C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 16751 SAL c1ccc(c(c1)C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16751 SAL InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) InChI InChI 1.03 16751 SAL O=C(O)c1ccccc1O SMILES ACDLabs 10.04 16751 SAL OC(=O)c1ccccc1O SMILES CACTVS 3.341 16751 SAL OC(=O)c1ccccc1O SMILES_CANONICAL CACTVS 3.341 16751 SAL YGSDEFSMJLZEOE-UHFFFAOYSA-N InChIKey InChI 1.03 16751 SAL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-hydroxybenzoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 16751 SAL '2-hydroxybenzoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16751 SAL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' . C1' . . C . . N 0 . . . . no no . . . . 73.041 . -6.580 . 39.637 . 0.226 0.006 1.635 1 . 16751 SAL O1' . O1' . . O . . N 0 . . . . no no . . . . 74.080 . -7.031 . 39.173 . -0.837 0.018 2.222 2 . 16751 SAL O2' . O2' . . O . . N 0 . . . . no no . . . . 72.831 . -6.884 . 40.805 . 1.379 -0.007 2.332 3 . 16751 SAL C1 . C1 . . C . . N 0 . . . . yes no . . . . 72.138 . -5.766 . 38.890 . 0.255 0.005 0.161 4 . 16751 SAL C2 . C2 . . C . . N 0 . . . . yes no . . . . 72.341 . -5.396 . 37.534 . -0.941 0.012 -0.567 5 . 16751 SAL C3 . C3 . . C . . N 0 . . . . yes no . . . . 71.427 . -4.584 . 36.794 . -0.902 0.018 -1.953 6 . 16751 SAL C4 . C4 . . C . . N 0 . . . . yes no . . . . 70.267 . -4.132 . 37.444 . 0.311 0.003 -2.611 7 . 16751 SAL C5 . C5 . . C . . N 0 . . . . yes no . . . . 69.995 . -4.459 . 38.795 . 1.497 -0.010 -1.894 8 . 16751 SAL C6 . C6 . . C . . N 0 . . . . yes no . . . . 70.939 . -5.277 . 39.504 . 1.477 -0.009 -0.517 9 . 16751 SAL O2 . O2 . . O . . N 0 . . . . no no . . . . 73.433 . -5.793 . 36.840 . -2.133 0.027 0.080 10 . 16751 SAL HO2' . HO2' . . H . . N 0 . . . . no no . . . . 72.024 . -6.534 . 41.165 . 1.360 -0.006 3.299 11 . 16751 SAL H3 . H3 . . H . . N 0 . . . . no no . . . . 71.613 . -4.311 . 35.741 . -1.821 0.029 -2.519 12 . 16751 SAL H4 . H4 . . H . . N 0 . . . . no no . . . . 69.553 . -3.506 . 36.881 . 0.337 0.002 -3.691 13 . 16751 SAL H5 . H5 . . H . . N 0 . . . . no no . . . . 69.076 . -4.088 . 39.280 . 2.442 -0.021 -2.418 14 . 16751 SAL H6 . H6 . . H . . N 0 . . . . no no . . . . 70.736 . -5.538 . 40.556 . 2.404 -0.019 0.037 15 . 16751 SAL HO2 . HO2 . . H . . N 0 . . . . no no . . . . 73.568 . -5.545 . 35.932 . -2.392 -0.895 0.209 16 . 16751 SAL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1' O1' no N 1 . 16751 SAL 2 . SING C1' O2' no N 2 . 16751 SAL 3 . SING C1' C1 no N 3 . 16751 SAL 4 . SING O2' HO2' no N 4 . 16751 SAL 5 . SING C1 C2 yes N 5 . 16751 SAL 6 . DOUB C1 C6 yes N 6 . 16751 SAL 7 . DOUB C2 C3 yes N 7 . 16751 SAL 8 . SING C2 O2 no N 8 . 16751 SAL 9 . SING C3 C4 yes N 9 . 16751 SAL 10 . SING C3 H3 no N 10 . 16751 SAL 11 . DOUB C4 C5 yes N 11 . 16751 SAL 12 . SING C4 H4 no N 12 . 16751 SAL 13 . SING C5 C6 yes N 13 . 16751 SAL 14 . SING C5 H5 no N 14 . 16751 SAL 15 . SING C6 H6 no N 15 . 16751 SAL 16 . SING O2 HO2 no N 16 . 16751 SAL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16751 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 1 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0105 . . mM . . . . 16751 1 3 NaH2PO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 1 4 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16751 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 2 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0118 . . mM . . . . 16751 2 3 NaH2PO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 2 4 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16751 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 3 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0133 . . mM . . . . 16751 3 3 NaH2PO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 3 4 Na2HPO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 3 5 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16751 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 4 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0146 . . mM . . . . 16751 4 3 NaH2PO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 4 4 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16751 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 5 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0163 . . mM . . . . 16751 5 3 Na2HPO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 5 4 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 16751 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSA 'natural abundance' . . 1 $HSA . . 1 . . mM . . . . 16751 6 2 salicylate 'natural abundance' . . 2 $SAL . . 0.0222 . . mM . . . . 16751 6 3 NaH2PO4 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 6 4 DMF 'natural abundance' . . . . . . 0.2 . . M . . . . 16751 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16751 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16751 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16751 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 16751 1 pressure 1 . atm 16751 1 temperature 298 . K 16751 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 16751 _Software.ID 1 _Software.Name not_given _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'not given' . . 16751 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'not given' 16751 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16751 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker ARX . 500 . . . 16751 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16751 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'NMR diffusion' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 2 'NMR relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 3 'NMR diffusion' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 4 'NMR relaxation' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 5 'NMR diffusion' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 6 'NMR relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 7 'NMR diffusion' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 8 'NMR relaxation' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 9 'NMR diffusion' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 10 'NMR relaxation' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 11 'NMR diffusion' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 12 'NMR relaxation' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16751 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 16751 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 'NMR diffusion' 1 $sample_1 isotropic 16751 1 2 'NMR relaxation' 1 $sample_1 isotropic 16751 1 3 'NMR diffusion' 2 $sample_2 isotropic 16751 1 4 'NMR relaxation' 2 $sample_2 isotropic 16751 1 5 'NMR diffusion' 3 $sample_3 isotropic 16751 1 6 'NMR relaxation' 3 $sample_3 isotropic 16751 1 7 'NMR diffusion' 4 $sample_4 isotropic 16751 1 8 'NMR relaxation' 4 $sample_4 isotropic 16751 1 9 'NMR diffusion' 5 $sample_5 isotropic 16751 1 10 'NMR relaxation' 5 $sample_5 isotropic 16751 1 11 'NMR diffusion' 6 $sample_6 isotropic 16751 1 12 'NMR relaxation' 6 $sample_6 isotropic 16751 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.9 0.9 M 16751 1 2 3 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.3 0.10 M 16751 1 3 5 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.07 M 16751 1 4 7 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.8 0.14 M 16751 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 HSA 1 $HSA 16751 1 1 1 2 salicylate 2 $SAL 16751 1 2 1 1 HSA 1 $HSA 16751 1 2 1 2 salicylate 2 $SAL 16751 1 3 1 1 HSA 1 $HSA 16751 1 3 1 2 salicylate 2 $SAL 16751 1 4 1 1 HSA 1 $HSA 16751 1 4 1 2 salicylate 2 $SAL 16751 1 stop_ save_