data_17459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17459 _Entry.Title ; Identification of the Binding Site for Acidic Phospholipids on the PH Domain of Dynamin: Implications for Stimulation of GTPase Activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-11 _Entry.Accession_date 2011-02-11 _Entry.Last_release_date 2012-06-06 _Entry.Original_release_date 2012-06-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jie Zheng . . . 17459 2 Sean Cahill . M. . 17459 3 Mark Lemmon . A. . 17459 4 David Fushman . . . 17459 5 Joseph Schlessinger . . . 17459 6 David Cowburn . . . 17459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 17459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 17459 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 . . 2012-06-06 2011-02-11 original author . 17459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Identification of the Binding Site for Acidic Phospholipids on the PH Domain of Dynamin: Implications for Stimulation of GTPase Activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 255 _Citation.Journal_issue . _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 14 _Citation.Page_last 21 _Citation.Year 1996 _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 Jie Zheng . . . 17459 1 2 Sean Cahill . M. . 17459 1 3 Mark Lemmon . A. . 17459 1 4 David Fushman . . . 17459 1 5 Joseph Schlessinger . . . 17459 1 6 David Cowburn . . . 17459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17459 _Assembly.ID 1 _Assembly.Name 'dynaminPHdomain/IBS complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 dynaminPHdomain 1 $dynaminPHdomain A . yes native yes yes . . . 17459 1 2 IBS 2 $IBS B . yes native yes yes . . . 17459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dynaminPHdomain _Entity.Sf_category entity _Entity.Sf_framecode dynaminPHdomain _Entity.Entry_ID 17459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dynaminPHdomain _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 ; MKTSGNQDEILVIRKGWLTI NNIGIMKGGSKEYWFVLTAE NLSWYKDDEEKEKKYMLSVD NLKLRDVEKGFMSSKHIFAL FNTEQRNVYKDYRQLELACE TQEEVDSWKASFLRAGVYPE RVGDK ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 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 PDB 1DYN . "Crystal Structure At 2.2 Angstroms Resolution Of The Pleckstrin Homology Domain From Human Dynamin" . . . . . 100.00 125 100.00 100.00 2.27e-85 . . . . 17459 1 2 no PDB 2DYN . "Dynamin (Pleckstrin Homology Domain) (Dynph)" . . . . . 96.80 122 100.00 100.00 3.06e-82 . . . . 17459 1 3 no PDB 3SNH . "Crystal Structure Of Nucleotide-free Human Dynamin1" . . . . . 99.20 743 99.19 100.00 5.59e-80 . . . . 17459 1 4 no PDB 3ZVR . "Crystal Structure Of Dynamin" . . . . . 99.20 772 100.00 100.00 1.55e-80 . . . . 17459 1 5 no PDB 3ZYS . "Human Dynamin 1 Deltaprd Polymer Stabilized With Gmppcp" . . . . . 90.40 113 100.00 100.00 5.39e-76 . . . . 17459 1 6 no PDB 4UUD . "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp" . . . . . 99.20 864 100.00 100.00 1.11e-80 . . . . 17459 1 7 no PDB 4UUK . "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp Strand 2" . . . . . 99.20 864 100.00 100.00 1.11e-80 . . . . 17459 1 8 no DBJ BAD90284 . "mKIAA4093 protein [Mus musculus]" . . . . . 99.20 871 100.00 100.00 7.46e-81 . . . . 17459 1 9 no DBJ BAD92361 . "dynamin 1 isoform 2 variant [Homo sapiens]" . . . . . 99.20 600 100.00 100.00 2.03e-81 . . . . 17459 1 10 no DBJ BAG53342 . "unnamed protein product [Homo sapiens]" . . . . . 99.20 396 100.00 100.00 1.45e-84 . . . . 17459 1 11 no DBJ BAG58137 . "unnamed protein product [Homo sapiens]" . . . . . 99.20 790 100.00 100.00 1.99e-80 . . . . 17459 1 12 no DBJ BAG59018 . "unnamed protein product [Homo sapiens]" . . . . . 99.20 851 100.00 100.00 1.62e-80 . . . . 17459 1 13 no EMBL CAA38397 . "D100 [Rattus norvegicus]" . . . . . 99.20 851 100.00 100.00 2.25e-80 . . . . 17459 1 14 no GB AAA02803 . "dynamin [Homo sapiens]" . . . . . 99.20 864 100.00 100.00 1.08e-80 . . . . 17459 1 15 no GB AAA37318 . "dynamin, partial [Mus musculus domesticus]" . . . . . 99.20 743 98.39 98.39 3.58e-78 . . . . 17459 1 16 no GB AAA37323 . "dynamin, partial [Mus musculus]" . . . . . 99.20 612 100.00 100.00 5.02e-81 . . . . 17459 1 17 no GB AAH34679 . "Dnm1 protein [Mus musculus]" . . . . . 99.20 867 100.00 100.00 3.53e-80 . . . . 17459 1 18 no GB AAH50279 . "Dynamin 1 [Homo sapiens]" . . . . . 99.20 851 100.00 100.00 1.80e-80 . . . . 17459 1 19 no PIR B40671 . "dynamin, internal form 2, short C-terminal form - human" . . . . . 99.20 851 100.00 100.00 1.80e-80 . . . . 17459 1 20 no PRF 1614348A . "dynamin 1 D100 protein" . . . . . 99.20 851 100.00 100.00 2.25e-80 . . . . 17459 1 21 no REF NP_001005336 . "dynamin-1 isoform 2 [Homo sapiens]" . . . . . 99.20 851 100.00 100.00 1.80e-80 . . . . 17459 1 22 no REF NP_001070288 . "dynamin-1 [Bos taurus]" . . . . . 99.20 856 99.19 99.19 1.13e-79 . . . . 17459 1 23 no REF NP_001124521 . "dynamin-1 [Canis lupus familiaris]" . . . . . 99.20 864 99.19 99.19 5.64e-80 . . . . 17459 1 24 no REF NP_001275666 . "dynamin-1 isoform 3 [Homo sapiens]" . . . . . 99.20 851 100.00 100.00 2.12e-80 . . . . 17459 1 25 no REF NP_001275667 . "dynamin-1 isoform 3 [Homo sapiens]" . . . . . 99.20 851 100.00 100.00 2.12e-80 . . . . 17459 1 26 no SP P21575 . "RecName: Full=Dynamin-1; AltName: Full=B-dynamin; AltName: Full=D100; AltName: Full=Dynamin, brain" . . . . . 99.20 864 100.00 100.00 1.91e-80 . . . . 17459 1 27 no SP P39053 . "RecName: Full=Dynamin-1" . . . . . 99.20 867 100.00 100.00 3.53e-80 . . . . 17459 1 28 no SP Q05193 . "RecName: Full=Dynamin-1" . . . . . 99.20 864 100.00 100.00 1.11e-80 . . . . 17459 1 29 no SP Q08DF4 . "RecName: Full=Dynamin-1" . . . . . 99.20 856 99.19 99.19 1.13e-79 . . . . 17459 1 30 no TPG DAA24145 . "TPA: dynamin-1 [Bos taurus]" . . . . . 99.20 856 99.19 99.19 1.13e-79 . . . . 17459 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 . MET . 17459 1 2 . LYS . 17459 1 3 . THR . 17459 1 4 . SER . 17459 1 5 . GLY . 17459 1 6 . ASN . 17459 1 7 . GLN . 17459 1 8 . ASP . 17459 1 9 . GLU . 17459 1 10 . ILE . 17459 1 11 . LEU . 17459 1 12 . VAL . 17459 1 13 . ILE . 17459 1 14 . ARG . 17459 1 15 . LYS . 17459 1 16 . GLY . 17459 1 17 . TRP . 17459 1 18 . LEU . 17459 1 19 . THR . 17459 1 20 . ILE . 17459 1 21 . ASN . 17459 1 22 . ASN . 17459 1 23 . ILE . 17459 1 24 . GLY . 17459 1 25 . ILE . 17459 1 26 . MET . 17459 1 27 . LYS . 17459 1 28 . GLY . 17459 1 29 . GLY . 17459 1 30 . SER . 17459 1 31 . LYS . 17459 1 32 . GLU . 17459 1 33 . TYR . 17459 1 34 . TRP . 17459 1 35 . PHE . 17459 1 36 . VAL . 17459 1 37 . LEU . 17459 1 38 . THR . 17459 1 39 . ALA . 17459 1 40 . GLU . 17459 1 41 . ASN . 17459 1 42 . LEU . 17459 1 43 . SER . 17459 1 44 . TRP . 17459 1 45 . TYR . 17459 1 46 . LYS . 17459 1 47 . ASP . 17459 1 48 . ASP . 17459 1 49 . GLU . 17459 1 50 . GLU . 17459 1 51 . LYS . 17459 1 52 . GLU . 17459 1 53 . LYS . 17459 1 54 . LYS . 17459 1 55 . TYR . 17459 1 56 . MET . 17459 1 57 . LEU . 17459 1 58 . SER . 17459 1 59 . VAL . 17459 1 60 . ASP . 17459 1 61 . ASN . 17459 1 62 . LEU . 17459 1 63 . LYS . 17459 1 64 . LEU . 17459 1 65 . ARG . 17459 1 66 . ASP . 17459 1 67 . VAL . 17459 1 68 . GLU . 17459 1 69 . LYS . 17459 1 70 . GLY . 17459 1 71 . PHE . 17459 1 72 . MET . 17459 1 73 . SER . 17459 1 74 . SER . 17459 1 75 . LYS . 17459 1 76 . HIS . 17459 1 77 . ILE . 17459 1 78 . PHE . 17459 1 79 . ALA . 17459 1 80 . LEU . 17459 1 81 . PHE . 17459 1 82 . ASN . 17459 1 83 . THR . 17459 1 84 . GLU . 17459 1 85 . GLN . 17459 1 86 . ARG . 17459 1 87 . ASN . 17459 1 88 . VAL . 17459 1 89 . TYR . 17459 1 90 . LYS . 17459 1 91 . ASP . 17459 1 92 . TYR . 17459 1 93 . ARG . 17459 1 94 . GLN . 17459 1 95 . LEU . 17459 1 96 . GLU . 17459 1 97 . LEU . 17459 1 98 . ALA . 17459 1 99 . CYS . 17459 1 100 . GLU . 17459 1 101 . THR . 17459 1 102 . GLN . 17459 1 103 . GLU . 17459 1 104 . GLU . 17459 1 105 . VAL . 17459 1 106 . ASP . 17459 1 107 . SER . 17459 1 108 . TRP . 17459 1 109 . LYS . 17459 1 110 . ALA . 17459 1 111 . SER . 17459 1 112 . PHE . 17459 1 113 . LEU . 17459 1 114 . ARG . 17459 1 115 . ALA . 17459 1 116 . GLY . 17459 1 117 . VAL . 17459 1 118 . TYR . 17459 1 119 . PRO . 17459 1 120 . GLU . 17459 1 121 . ARG . 17459 1 122 . VAL . 17459 1 123 . GLY . 17459 1 124 . ASP . 17459 1 125 . LYS . 17459 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 . MET 1 1 17459 1 . LYS 2 2 17459 1 . THR 3 3 17459 1 . SER 4 4 17459 1 . GLY 5 5 17459 1 . ASN 6 6 17459 1 . GLN 7 7 17459 1 . ASP 8 8 17459 1 . GLU 9 9 17459 1 . ILE 10 10 17459 1 . LEU 11 11 17459 1 . VAL 12 12 17459 1 . ILE 13 13 17459 1 . ARG 14 14 17459 1 . LYS 15 15 17459 1 . GLY 16 16 17459 1 . TRP 17 17 17459 1 . LEU 18 18 17459 1 . THR 19 19 17459 1 . ILE 20 20 17459 1 . ASN 21 21 17459 1 . ASN 22 22 17459 1 . ILE 23 23 17459 1 . GLY 24 24 17459 1 . ILE 25 25 17459 1 . MET 26 26 17459 1 . LYS 27 27 17459 1 . GLY 28 28 17459 1 . GLY 29 29 17459 1 . SER 30 30 17459 1 . LYS 31 31 17459 1 . GLU 32 32 17459 1 . TYR 33 33 17459 1 . TRP 34 34 17459 1 . PHE 35 35 17459 1 . VAL 36 36 17459 1 . LEU 37 37 17459 1 . THR 38 38 17459 1 . ALA 39 39 17459 1 . GLU 40 40 17459 1 . ASN 41 41 17459 1 . LEU 42 42 17459 1 . SER 43 43 17459 1 . TRP 44 44 17459 1 . TYR 45 45 17459 1 . LYS 46 46 17459 1 . ASP 47 47 17459 1 . ASP 48 48 17459 1 . GLU 49 49 17459 1 . GLU 50 50 17459 1 . LYS 51 51 17459 1 . GLU 52 52 17459 1 . LYS 53 53 17459 1 . LYS 54 54 17459 1 . TYR 55 55 17459 1 . MET 56 56 17459 1 . LEU 57 57 17459 1 . SER 58 58 17459 1 . VAL 59 59 17459 1 . ASP 60 60 17459 1 . ASN 61 61 17459 1 . LEU 62 62 17459 1 . LYS 63 63 17459 1 . LEU 64 64 17459 1 . ARG 65 65 17459 1 . ASP 66 66 17459 1 . VAL 67 67 17459 1 . GLU 68 68 17459 1 . LYS 69 69 17459 1 . GLY 70 70 17459 1 . PHE 71 71 17459 1 . MET 72 72 17459 1 . SER 73 73 17459 1 . SER 74 74 17459 1 . LYS 75 75 17459 1 . HIS 76 76 17459 1 . ILE 77 77 17459 1 . PHE 78 78 17459 1 . ALA 79 79 17459 1 . LEU 80 80 17459 1 . PHE 81 81 17459 1 . ASN 82 82 17459 1 . THR 83 83 17459 1 . GLU 84 84 17459 1 . GLN 85 85 17459 1 . ARG 86 86 17459 1 . ASN 87 87 17459 1 . VAL 88 88 17459 1 . TYR 89 89 17459 1 . LYS 90 90 17459 1 . ASP 91 91 17459 1 . TYR 92 92 17459 1 . ARG 93 93 17459 1 . GLN 94 94 17459 1 . LEU 95 95 17459 1 . GLU 96 96 17459 1 . LEU 97 97 17459 1 . ALA 98 98 17459 1 . CYS 99 99 17459 1 . GLU 100 100 17459 1 . THR 101 101 17459 1 . GLN 102 102 17459 1 . GLU 103 103 17459 1 . GLU 104 104 17459 1 . VAL 105 105 17459 1 . ASP 106 106 17459 1 . SER 107 107 17459 1 . TRP 108 108 17459 1 . LYS 109 109 17459 1 . ALA 110 110 17459 1 . SER 111 111 17459 1 . PHE 112 112 17459 1 . LEU 113 113 17459 1 . ARG 114 114 17459 1 . ALA 115 115 17459 1 . GLY 116 116 17459 1 . VAL 117 117 17459 1 . TYR 118 118 17459 1 . PRO 119 119 17459 1 . GLU 120 120 17459 1 . ARG 121 121 17459 1 . VAL 122 122 17459 1 . GLY 123 123 17459 1 . ASP 124 124 17459 1 . LYS 125 125 17459 1 stop_ save_ save_IBS _Entity.Sf_category entity _Entity.Sf_framecode IBS _Entity.Entry_ID 17459 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IBS _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 IBS _Entity.Nonpolymer_comp_label $chem_comp_IBS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . IBS . 17459 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 17459 _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 $dynaminPHdomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17459 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 17459 _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 $dynaminPHdomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ns . . . . . . 17459 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_IBS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_IBS _Chem_comp.Entry_ID 17459 _Chem_comp.ID IBS _Chem_comp.Provenance . _Chem_comp.Name L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code IBS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2001-03-12 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code IBS _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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H19 O17 P3' _Chem_comp.Formula_weight 492.158 _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 1I7E _Chem_comp.Processing_site RCSB _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 Wed Feb 16 15:04:47 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 C(C(=O)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17459 IBS C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17459 IBS InChI=1/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1/f/h15-16,18-19,21H InChI InChI 1.02b 17459 IBS JBQPYAMQMBKZDT-IXKGRISSDR InChIKey InChI 1.02b 17459 IBS OCC(=O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O SMILES CACTVS 3.341 17459 IBS OCC(=O)CO[P@@](O)(=O)O[C@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O SMILES_CANONICAL CACTVS 3.341 17459 IBS O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(=O)CO)C(O)C1OP(=O)(O)O)(O)O SMILES ACDLabs 10.04 17459 IBS 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 '(1R,2R,3S,4R,5S,6S)-3,4,6-trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen (phosphate)]' 'SYSTEMATIC NAME' ACDLabs 10.04 17459 IBS '(3-hydroxy-2-oxo-propyl) [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17459 IBS 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 . . S 0 . . . . no no . . . . 23.715 . 38.928 . 63.185 . 0.456 1.076 1.183 1 . 17459 IBS C2 . C2 . . C . . R 0 . . . . no no . . . . 24.945 . 38.949 . 64.162 . -0.270 2.301 0.626 2 . 17459 IBS C3 . C3 . . C . . S 0 . . . . no no . . . . 24.440 . 38.430 . 65.540 . -1.136 1.883 -0.565 3 . 17459 IBS C4 . C4 . . C . . R 0 . . . . no no . . . . 23.735 . 37.037 . 65.568 . -2.163 0.845 -0.109 4 . 17459 IBS C5 . C5 . . C . . R 0 . . . . no no . . . . 22.518 . 37.121 . 64.538 . -1.436 -0.381 0.448 5 . 17459 IBS C6 . C6 . . C . . S 0 . . . . no no . . . . 23.077 . 37.459 . 63.109 . -0.571 0.037 1.639 6 . 17459 IBS O1 . O1 . . O . . N 0 . . . . no no . . . . 23.182 . 40.227 . 62.378 . 1.286 0.510 0.166 7 . 17459 IBS O2 . O2 . . O . . N 0 . . . . no no . . . . 25.955 . 38.099 . 63.523 . -1.100 2.867 1.642 8 . 17459 IBS O3 . O3 . . O . . N 0 . . . . no no . . . . 25.541 . 38.404 . 66.411 . -1.814 3.028 -1.086 9 . 17459 IBS O4 . O4 . . O . . N 0 . . . . no no . . . . 23.293 . 36.717 . 66.933 . -2.971 0.455 -1.221 10 . 17459 IBS O5 . O5 . . O . . N 0 . . . . no no . . . . 21.864 . 35.834 . 64.582 . -2.396 -1.350 0.874 11 . 17459 IBS O6 . O6 . . O . . N 0 . . . . no no . . . . 22.000 . 37.491 . 62.225 . 0.108 -1.107 2.160 12 . 17459 IBS P1 . P1 . . P . . S 0 . . . . no no . . . . 22.300 . 41.009 . 63.179 . 2.797 0.557 0.719 13 . 17459 IBS O11 . O11 . . O . . N 0 . . . . no no . . . . 22.479 . 40.755 . 64.710 . 3.139 1.945 1.103 14 . 17459 IBS O12 . O12 . . O . . N 0 . . . . no no . . . . 20.768 . 40.690 . 62.993 . 3.806 0.054 -0.431 15 . 17459 IBS C21 . C21 . . C . . N 0 . . . . no no . . . . 19.950 . 40.159 . 61.901 . 5.130 0.230 0.076 16 . 17459 IBS C24 . C24 . . C . . N 0 . . . . no no . . . . 19.169 . 41.329 . 61.281 . 6.128 -0.224 -0.959 17 . 17459 IBS O29 . O29 . . O . . N 0 . . . . no no . . . . 19.623 . 42.559 . 61.834 . 5.744 -0.654 -2.020 18 . 17459 IBS C25 . C25 . . C . . N 0 . . . . no no . . . . 17.681 . 41.257 . 61.544 . 7.604 -0.142 -0.669 19 . 17459 IBS O26 . O26 . . O . . N 0 . . . . no no . . . . 16.920 . 41.447 . 60.389 . 8.338 -0.628 -1.794 20 . 17459 IBS O13 . O13 . . O . . N 0 . . . . no no . . . . 22.652 . 42.370 . 62.821 . 2.928 -0.403 2.005 21 . 17459 IBS P4 . P4 . . P . . N 0 . . . . no no . . . . 22.982 . 37.592 . 68.292 . -4.492 0.825 -0.844 22 . 17459 IBS O41 . O41 . . O . . N 0 . . . . no no . . . . 24.198 . 38.451 . 68.904 . -4.576 2.259 -0.485 23 . 17459 IBS O42 . O42 . . O . . N 0 . . . . no no . . . . 22.462 . 36.613 . 69.409 . -5.445 0.532 -2.108 24 . 17459 IBS O43 . O43 . . O . . N 0 . . . . no no . . . . 21.793 . 38.557 . 67.816 . -4.968 -0.070 0.407 25 . 17459 IBS P5 . P5 . . P . . N 0 . . . . no no . . . . 20.301 . 35.416 . 64.400 . -2.125 -2.683 0.012 26 . 17459 IBS O51 . O51 . . O . . N 0 . . . . no no . . . . 19.417 . 36.582 . 64.984 . -2.168 -2.354 -1.430 27 . 17459 IBS O52 . O52 . . O . . N 0 . . . . no no . . . . 19.793 . 35.248 . 62.881 . -0.676 -3.277 0.384 28 . 17459 IBS O53 . O53 . . O . . N 0 . . . . no no . . . . 20.111 . 33.972 . 65.165 . -3.256 -3.778 0.347 29 . 17459 IBS H1 . H1 . . H . . N 0 . . . . no no . . . . 23.263 . 39.741 . 62.569 . 1.073 1.373 2.031 30 . 17459 IBS H2 . H2 . . H . . N 0 . . . . no no . . . . 25.397 . 39.950 . 64.348 . 0.462 3.041 0.301 31 . 17459 IBS H3 . H3 . . H . . N 0 . . . . no no . . . . 23.633 . 39.138 . 65.843 . -0.503 1.452 -1.341 32 . 17459 IBS H4 . H4 . . H . . N 0 . . . . no no . . . . 24.426 . 36.215 . 65.267 . -2.796 1.276 0.667 33 . 17459 IBS H5 . H5 . . H . . N 0 . . . . no no . . . . 21.786 . 37.922 . 64.795 . -0.803 -0.812 -0.327 34 . 17459 IBS H6 . H6 . . H . . N 0 . . . . no no . . . . 23.832 . 36.710 . 62.775 . -1.204 0.469 2.415 35 . 17459 IBS HO2 . HO2 . . H . . N 0 . . . . no no . . . . 26.698 . 38.111 . 64.113 . -1.539 3.634 1.251 36 . 17459 IBS HO3 . HO3 . . H . . N 0 . . . . no no . . . . 25.232 . 38.087 . 67.252 . -1.132 3.656 -1.361 37 . 17459 IBS HO6 . HO6 . . H . . N 0 . . . . no no . . . . 21.622 . 36.620 . 62.180 . 0.640 -0.801 2.906 38 . 17459 IBS H211 . H211 . . H . . N 0 . . . . no no . . . . 20.548 . 39.593 . 61.149 . 5.253 -0.361 0.983 39 . 17459 IBS H212 . H212 . . H . . N 0 . . . . no no . . . . 19.288 . 39.322 . 62.225 . 5.296 1.283 0.302 40 . 17459 IBS H25 . H25 . . H . . N 0 . . . . no no . . . . 17.381 . 41.974 . 62.343 . 7.879 0.894 -0.475 41 . 17459 IBS H251 . H251 . . H . . N 0 . . . . no no . . . . 17.410 . 40.301 . 62.049 . 7.837 -0.750 0.206 42 . 17459 IBS H26 . H26 . . H . . N 0 . . . . no no . . . . 15.985 . 41.401 . 60.554 . 9.276 -0.558 -1.568 43 . 17459 IBS HO13 . HO13 . . H . . N 0 . . . . no no . . . . 22.064 . 42.891 . 63.354 . 2.697 -1.295 1.712 44 . 17459 IBS HO42 . HO42 . . H . . N 0 . . . . no no . . . . 22.282 . 37.118 . 70.193 . -6.344 0.767 -1.840 45 . 17459 IBS HO43 . HO43 . . H . . N 0 . . . . no no . . . . 21.613 . 39.062 . 68.600 . -4.898 -0.994 0.131 46 . 17459 IBS HO52 . HO52 . . H . . N 0 . . . . no no . . . . 18.881 . 35.004 . 62.774 . -0.690 -3.477 1.330 47 . 17459 IBS HO53 . HO53 . . H . . N 0 . . . . no no . . . . 19.199 . 33.728 . 65.058 . -3.057 -4.558 -0.189 48 . 17459 IBS 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 . SING C1 C2 no N 1 . 17459 IBS 2 . SING C1 C6 no N 2 . 17459 IBS 3 . SING C1 O1 no N 3 . 17459 IBS 4 . SING C1 H1 no N 4 . 17459 IBS 5 . SING C2 C3 no N 5 . 17459 IBS 6 . SING C2 O2 no N 6 . 17459 IBS 7 . SING C2 H2 no N 7 . 17459 IBS 8 . SING C3 C4 no N 8 . 17459 IBS 9 . SING C3 O3 no N 9 . 17459 IBS 10 . SING C3 H3 no N 10 . 17459 IBS 11 . SING C4 C5 no N 11 . 17459 IBS 12 . SING C4 O4 no N 12 . 17459 IBS 13 . SING C4 H4 no N 13 . 17459 IBS 14 . SING C5 C6 no N 14 . 17459 IBS 15 . SING C5 O5 no N 15 . 17459 IBS 16 . SING C5 H5 no N 16 . 17459 IBS 17 . SING C6 O6 no N 17 . 17459 IBS 18 . SING C6 H6 no N 18 . 17459 IBS 19 . SING O1 P1 no N 19 . 17459 IBS 20 . SING O2 HO2 no N 20 . 17459 IBS 21 . SING O3 HO3 no N 21 . 17459 IBS 22 . SING O4 P4 no N 22 . 17459 IBS 23 . SING O5 P5 no N 23 . 17459 IBS 24 . SING O6 HO6 no N 24 . 17459 IBS 25 . DOUB P1 O11 no N 25 . 17459 IBS 26 . SING P1 O12 no N 26 . 17459 IBS 27 . SING P1 O13 no N 27 . 17459 IBS 28 . SING O12 C21 no N 28 . 17459 IBS 29 . SING C21 C24 no N 29 . 17459 IBS 30 . SING C21 H211 no N 30 . 17459 IBS 31 . SING C21 H212 no N 31 . 17459 IBS 32 . DOUB C24 O29 no N 32 . 17459 IBS 33 . SING C24 C25 no N 33 . 17459 IBS 34 . SING C25 O26 no N 34 . 17459 IBS 35 . SING C25 H25 no N 35 . 17459 IBS 36 . SING C25 H251 no N 36 . 17459 IBS 37 . SING O26 H26 no N 37 . 17459 IBS 38 . SING O13 HO13 no N 38 . 17459 IBS 39 . DOUB P4 O41 no N 39 . 17459 IBS 40 . SING P4 O42 no N 40 . 17459 IBS 41 . SING P4 O43 no N 41 . 17459 IBS 42 . SING O42 HO42 no N 42 . 17459 IBS 43 . SING O43 HO43 no N 43 . 17459 IBS 44 . DOUB P5 O51 no N 44 . 17459 IBS 45 . SING P5 O52 no N 45 . 17459 IBS 46 . SING P5 O53 no N 46 . 17459 IBS 47 . SING O52 HO52 no N 47 . 17459 IBS 48 . SING O53 HO53 no N 48 . 17459 IBS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17459 _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 dynaminPHdomain [U-15N] . . 1 $dynaminPHdomain . . 1.9 . . mM . . . . 17459 1 2 IBS 'natural abundance' . . 2 $IBS . . . 0 13.74 mM . . . . 17459 1 3 dithiothreitol [U-2H] . . . . . . 4 . . mM . . . . 17459 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17459 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17459 1 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 17459 _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 6.2 . pH 17459 1 pressure 1 . atm 17459 1 temperature 298 . K 17459 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 17459 _Software.ID 1 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Biosym Technologies' . . 17459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'figure generation' 17459 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 17459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17459 _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 DMX . 500 . . . 17459 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 17459 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17459 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 17459 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 17459 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 1 $InsightII . . 17459 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 . 51 LYS . . . . . . . . 'chemical shifts' Kd 4.3 . mM 17459 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 dynaminPHdomain 1 $dynaminPHdomain 17459 1 1 1 2 IBS 2 $IBS 17459 1 stop_ save_