data_17053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17053 _Entry.Title ; A NMR-based docking model for the physiological transient complex between cytochrome f and cytochrome c6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-13 _Entry.Accession_date 2010-07-13 _Entry.Last_release_date 2010-09-08 _Entry.Original_release_date 2010-09-08 _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 Irene Diaz-Moreno . . . 17053 2 Antonio Diaz-Quintana . . . 17053 3 Marcellus Ubbink . . . 17053 4 Miguel 'De la Rosa' . A. . 17053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 17053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 17053 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 . . 2010-09-08 2010-07-13 original author . 17053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17053 _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 'An NMR-based docking model for the physiological transient complex between cytochrome f and cytochrome c6' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 579 _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 2891 _Citation.Page_last 2896 _Citation.Year 2005 _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 Irene Diaz-Moreno . . . 17053 1 2 Antonio Diaz-Quintana . . . 17053 1 3 Marcellus Ubbink . . . 17053 1 4 Miguel 'De la Rosa' . A. . 17053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17053 _Assembly.ID 1 _Assembly.Name 'Cc6/Cf 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 Cc6 1 $Cc6 A . yes native no no . . . 17053 1 2 Cf 2 $Cf B . yes native no no . . . 17053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cc6 _Entity.Sf_category entity _Entity.Sf_framecode Cc6 _Entity.Entry_ID 17053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cc6 _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 ; NEQLAKQKGCMACHDLKAKK VGPAYADVAKKYAGRKDAVD YLAGKIKKGGSGVWGSVPMP PQNVTDAEAKQLAQWILSIK ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 BMRB 10134 . "cytochrome c552" . . . . . 100.00 80 100.00 100.00 7.84e-49 . . . . 17053 1 2 no BMRB 10135 . "cytochrome c552" . . . . . 100.00 80 100.00 100.00 7.84e-49 . . . . 17053 1 3 no BMRB 25389 . wt_cytc . . . . . 100.00 80 100.00 100.00 7.84e-49 . . . . 17053 1 4 no BMRB 25390 . axxa_cytc . . . . . 100.00 80 97.50 97.50 6.96e-47 . . . . 17053 1 5 no PDB 1AYG . "Solution Structure Of Cytochrome C-552, Nmr, 20 Structures" . . . . . 98.75 80 100.00 100.00 8.42e-48 . . . . 17053 1 6 no PDB 1YNR . "Crystal Structure Of The Cytochrome C-552 From Hydrogenobacter Thermophilus At 2.0 Resolution" . . . . . 100.00 80 100.00 100.00 7.84e-49 . . . . 17053 1 7 no PDB 2AI5 . "Solution Structure Of Cytochrome C552, Determined By Distributed Computing Implementation For Nmr Data" . . . . . 98.75 80 100.00 100.00 8.42e-48 . . . . 17053 1 8 no PDB 3VYM . "Dimeric Hydrogenobacter Thermophilus Cytochrome C552" . . . . . 100.00 80 100.00 100.00 7.84e-49 . . . . 17053 1 9 no DBJ BAI69446 . "cytochrome c-552 [Hydrogenobacter thermophilus TK-6]" . . . . . 100.00 98 100.00 100.00 3.23e-49 . . . . 17053 1 10 no EMBL CAA40902 . "cytochrome c-552 [Hydrogenobacter thermophilus TK-6]" . . . . . 100.00 98 100.00 100.00 3.23e-49 . . . . 17053 1 11 no GB ADO45379 . "cytochrome c class I [Hydrogenobacter thermophilus TK-6]" . . . . . 100.00 98 100.00 100.00 3.23e-49 . . . . 17053 1 12 no REF WP_012963626 . "cytochrome c-552 [Hydrogenobacter thermophilus]" . . . . . 100.00 98 100.00 100.00 3.23e-49 . . . . 17053 1 13 no SP P15452 . "RecName: Full=Cytochrome c-552; AltName: Full=Cytochrome c552; Flags: Precursor" . . . . . 100.00 98 100.00 100.00 3.23e-49 . . . . 17053 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 . ASN . 17053 1 2 . GLU . 17053 1 3 . GLN . 17053 1 4 . LEU . 17053 1 5 . ALA . 17053 1 6 . LYS . 17053 1 7 . GLN . 17053 1 8 . LYS . 17053 1 9 . GLY . 17053 1 10 . CYS . 17053 1 11 . MET . 17053 1 12 . ALA . 17053 1 13 . CYS . 17053 1 14 . HIS . 17053 1 15 . ASP . 17053 1 16 . LEU . 17053 1 17 . LYS . 17053 1 18 . ALA . 17053 1 19 . LYS . 17053 1 20 . LYS . 17053 1 21 . VAL . 17053 1 22 . GLY . 17053 1 23 . PRO . 17053 1 24 . ALA . 17053 1 25 . TYR . 17053 1 26 . ALA . 17053 1 27 . ASP . 17053 1 28 . VAL . 17053 1 29 . ALA . 17053 1 30 . LYS . 17053 1 31 . LYS . 17053 1 32 . TYR . 17053 1 33 . ALA . 17053 1 34 . GLY . 17053 1 35 . ARG . 17053 1 36 . LYS . 17053 1 37 . ASP . 17053 1 38 . ALA . 17053 1 39 . VAL . 17053 1 40 . ASP . 17053 1 41 . TYR . 17053 1 42 . LEU . 17053 1 43 . ALA . 17053 1 44 . GLY . 17053 1 45 . LYS . 17053 1 46 . ILE . 17053 1 47 . LYS . 17053 1 48 . LYS . 17053 1 49 . GLY . 17053 1 50 . GLY . 17053 1 51 . SER . 17053 1 52 . GLY . 17053 1 53 . VAL . 17053 1 54 . TRP . 17053 1 55 . GLY . 17053 1 56 . SER . 17053 1 57 . VAL . 17053 1 58 . PRO . 17053 1 59 . MET . 17053 1 60 . PRO . 17053 1 61 . PRO . 17053 1 62 . GLN . 17053 1 63 . ASN . 17053 1 64 . VAL . 17053 1 65 . THR . 17053 1 66 . ASP . 17053 1 67 . ALA . 17053 1 68 . GLU . 17053 1 69 . ALA . 17053 1 70 . LYS . 17053 1 71 . GLN . 17053 1 72 . LEU . 17053 1 73 . ALA . 17053 1 74 . GLN . 17053 1 75 . TRP . 17053 1 76 . ILE . 17053 1 77 . LEU . 17053 1 78 . SER . 17053 1 79 . ILE . 17053 1 80 . LYS . 17053 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 . ASN 1 1 17053 1 . GLU 2 2 17053 1 . GLN 3 3 17053 1 . LEU 4 4 17053 1 . ALA 5 5 17053 1 . LYS 6 6 17053 1 . GLN 7 7 17053 1 . LYS 8 8 17053 1 . GLY 9 9 17053 1 . CYS 10 10 17053 1 . MET 11 11 17053 1 . ALA 12 12 17053 1 . CYS 13 13 17053 1 . HIS 14 14 17053 1 . ASP 15 15 17053 1 . LEU 16 16 17053 1 . LYS 17 17 17053 1 . ALA 18 18 17053 1 . LYS 19 19 17053 1 . LYS 20 20 17053 1 . VAL 21 21 17053 1 . GLY 22 22 17053 1 . PRO 23 23 17053 1 . ALA 24 24 17053 1 . TYR 25 25 17053 1 . ALA 26 26 17053 1 . ASP 27 27 17053 1 . VAL 28 28 17053 1 . ALA 29 29 17053 1 . LYS 30 30 17053 1 . LYS 31 31 17053 1 . TYR 32 32 17053 1 . ALA 33 33 17053 1 . GLY 34 34 17053 1 . ARG 35 35 17053 1 . LYS 36 36 17053 1 . ASP 37 37 17053 1 . ALA 38 38 17053 1 . VAL 39 39 17053 1 . ASP 40 40 17053 1 . TYR 41 41 17053 1 . LEU 42 42 17053 1 . ALA 43 43 17053 1 . GLY 44 44 17053 1 . LYS 45 45 17053 1 . ILE 46 46 17053 1 . LYS 47 47 17053 1 . LYS 48 48 17053 1 . GLY 49 49 17053 1 . GLY 50 50 17053 1 . SER 51 51 17053 1 . GLY 52 52 17053 1 . VAL 53 53 17053 1 . TRP 54 54 17053 1 . GLY 55 55 17053 1 . SER 56 56 17053 1 . VAL 57 57 17053 1 . PRO 58 58 17053 1 . MET 59 59 17053 1 . PRO 60 60 17053 1 . PRO 61 61 17053 1 . GLN 62 62 17053 1 . ASN 63 63 17053 1 . VAL 64 64 17053 1 . THR 65 65 17053 1 . ASP 66 66 17053 1 . ALA 67 67 17053 1 . GLU 68 68 17053 1 . ALA 69 69 17053 1 . LYS 70 70 17053 1 . GLN 71 71 17053 1 . LEU 72 72 17053 1 . ALA 73 73 17053 1 . GLN 74 74 17053 1 . TRP 75 75 17053 1 . ILE 76 76 17053 1 . LEU 77 77 17053 1 . SER 78 78 17053 1 . ILE 79 79 17053 1 . LYS 80 80 17053 1 stop_ save_ save_Cf _Entity.Sf_category entity _Entity.Sf_framecode Cf _Entity.Entry_ID 17053 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Cf _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 ; YPIFAQQNYENPREATGRIV CANCHLASKPVDIEVPQAVL PDTVFEAVVKIPYDMQLKQV LANGKKGALNVGAVLILPEG FELAPPDRISPEMKEKIGNL SFQNYRPNKKNILVIGPVPG QKYSEITFPILAPDPATNKD VHFLKYPIYVGGNRGRGQIY PDGSKSNNTVYNATAGGIIS KILRKEKGGYEITIVDASNE RQVIDIIPRGLELLVSEGES IKLDQPLTSNPNVGGFGQGD AEIVLQDPLR ; _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 250 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 2015-01-30 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 1CTM . "Crystal Structure Of Chloroplast Cytochrome F Reveals A Novel Cytochrome Fold And Unexpected Heme Ligation" . . . . . 100.00 250 100.00 100.00 7.41e-178 . . . . 17053 2 2 no PDB 1HCZ . "Lumen-Side Domain Of Reduced Cytochrome F At-35 Degrees Celsius" . . . . . 100.00 252 100.00 100.00 6.06e-178 . . . . 17053 2 3 no PDB 1TKW . "The Transient Complex Of Poplar Plastocyanin With Turnip Cytochrome F Determined With Paramagnetic Nmr" . . . . . 100.00 252 100.00 100.00 6.06e-178 . . . . 17053 2 4 no PDB 2PCF . "The Complex Of Cytochrome F And Plastocyanin Determined With Paramagnetic Nmr. Based On The Structures Of Cytochrome F And Plas" . . . . . 100.00 250 100.00 100.00 7.41e-178 . . . . 17053 2 5 no DBJ BAA84398 . "cytochrome f [Arabidopsis thaliana]" . . . . . 100.00 320 98.40 99.20 3.47e-176 . . . . 17053 2 6 no DBJ BAF49783 . "cytochrome f [Aethionema cordifolium]" . . . . . 100.00 322 98.80 99.20 5.45e-177 . . . . 17053 2 7 no DBJ BAF49867 . "cytochrome f [Aethionema grandiflorum]" . . . . . 100.00 322 98.40 98.80 8.11e-176 . . . . 17053 2 8 no DBJ BAF49952 . "cytochrome f [Olimarabidopsis pumila]" . . . . . 100.00 320 97.20 98.40 2.88e-174 . . . . 17053 2 9 no DBJ BAF50036 . "cytochrome f [Arabis hirsuta]" . . . . . 100.00 320 99.60 100.00 2.85e-179 . . . . 17053 2 10 no EMBL CAA54307 . "cytochrome f [Brassica rapa]" . . . . . 100.00 320 100.00 100.00 1.70e-179 . . . . 17053 2 11 no EMBL CCW28192 . "petA protein (chloroplast) [Arabis alpina]" . . . . . 100.00 320 99.60 99.60 1.15e-178 . . . . 17053 2 12 no EMBL CDX92360 . "BnaA10g13990D [Brassica napus]" . . . . . 100.00 320 99.60 99.60 1.23e-178 . . . . 17053 2 13 no EMBL CDX99939 . "BnaC09g27660D [Brassica napus]" . . . . . 100.00 320 99.60 99.60 1.23e-178 . . . . 17053 2 14 no EMBL CDY20523 . "BnaC07g11900D [Brassica napus]" . . . . . 100.00 320 99.60 99.60 1.23e-178 . . . . 17053 2 15 no GB ACY66226 . "cytochrome f [Brassica napus]" . . . . . 100.00 320 100.00 100.00 1.70e-179 . . . . 17053 2 16 no GB AFM92292 . "cytochrome f (chloroplast) [Pachycladon cheesemanii]" . . . . . 100.00 320 98.00 99.20 6.99e-176 . . . . 17053 2 17 no GB AFQ07804 . "cytochrome f (chloroplast) [Pachycladon enysii]" . . . . . 100.00 320 98.40 99.20 2.79e-176 . . . . 17053 2 18 no GB AIE42479 . "cytochrome f (chloroplast) [Raphanus sativus]" . . . . . 100.00 320 99.20 100.00 1.93e-178 . . . . 17053 2 19 no GB AIK29017 . "cytochrome f (chloroplast) [Brassica napus]" . . . . . 100.00 320 100.00 100.00 1.70e-179 . . . . 17053 2 20 no REF NP_051072 . "cytochrome f [Arabidopsis thaliana]" . . . . . 100.00 320 98.40 99.20 3.47e-176 . . . . 17053 2 21 no REF XP_002888345 . "cytochrome f [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 317 97.20 99.20 4.69e-175 . . . . 17053 2 22 no REF YP_001122959 . "cytochrome f [Aethionema cordifolium]" . . . . . 100.00 322 98.80 99.20 5.45e-177 . . . . 17053 2 23 no REF YP_001123043 . "cytochrome f [Aethionema grandiflorum]" . . . . . 100.00 322 98.40 98.80 8.11e-176 . . . . 17053 2 24 no REF YP_001123128 . "cytochrome f [Olimarabidopsis pumila]" . . . . . 100.00 320 97.20 98.40 2.88e-174 . . . . 17053 2 25 no SP A4QJC8 . "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Aethionema cordifolium]" . . . . . 100.00 322 98.80 99.20 5.45e-177 . . . . 17053 2 26 no SP A4QJL2 . "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Aethionema grandiflorum]" . . . . . 100.00 322 98.40 98.80 8.11e-176 . . . . 17053 2 27 no SP A4QJZ7 . "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Olimarabidopsis pumila]" . . . . . 100.00 320 97.20 98.40 2.88e-174 . . . . 17053 2 28 no SP A4QK31 . "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Arabis hirsuta]" . . . . . 100.00 320 99.60 100.00 2.85e-179 . . . . 17053 2 29 no SP A4QKB8 . "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Barbarea verna]" . . . . . 100.00 320 98.40 99.20 2.08e-176 . . . . 17053 2 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 . TYR . 17053 2 2 . PRO . 17053 2 3 . ILE . 17053 2 4 . PHE . 17053 2 5 . ALA . 17053 2 6 . GLN . 17053 2 7 . GLN . 17053 2 8 . ASN . 17053 2 9 . TYR . 17053 2 10 . GLU . 17053 2 11 . ASN . 17053 2 12 . PRO . 17053 2 13 . ARG . 17053 2 14 . GLU . 17053 2 15 . ALA . 17053 2 16 . THR . 17053 2 17 . GLY . 17053 2 18 . ARG . 17053 2 19 . ILE . 17053 2 20 . VAL . 17053 2 21 . CYS . 17053 2 22 . ALA . 17053 2 23 . ASN . 17053 2 24 . CYS . 17053 2 25 . HIS . 17053 2 26 . LEU . 17053 2 27 . ALA . 17053 2 28 . SER . 17053 2 29 . LYS . 17053 2 30 . PRO . 17053 2 31 . VAL . 17053 2 32 . ASP . 17053 2 33 . ILE . 17053 2 34 . GLU . 17053 2 35 . VAL . 17053 2 36 . PRO . 17053 2 37 . GLN . 17053 2 38 . ALA . 17053 2 39 . VAL . 17053 2 40 . LEU . 17053 2 41 . PRO . 17053 2 42 . ASP . 17053 2 43 . THR . 17053 2 44 . VAL . 17053 2 45 . PHE . 17053 2 46 . GLU . 17053 2 47 . ALA . 17053 2 48 . VAL . 17053 2 49 . VAL . 17053 2 50 . LYS . 17053 2 51 . ILE . 17053 2 52 . PRO . 17053 2 53 . TYR . 17053 2 54 . ASP . 17053 2 55 . MET . 17053 2 56 . GLN . 17053 2 57 . LEU . 17053 2 58 . LYS . 17053 2 59 . GLN . 17053 2 60 . VAL . 17053 2 61 . LEU . 17053 2 62 . ALA . 17053 2 63 . ASN . 17053 2 64 . GLY . 17053 2 65 . LYS . 17053 2 66 . LYS . 17053 2 67 . GLY . 17053 2 68 . ALA . 17053 2 69 . LEU . 17053 2 70 . ASN . 17053 2 71 . VAL . 17053 2 72 . GLY . 17053 2 73 . ALA . 17053 2 74 . VAL . 17053 2 75 . LEU . 17053 2 76 . ILE . 17053 2 77 . LEU . 17053 2 78 . PRO . 17053 2 79 . GLU . 17053 2 80 . GLY . 17053 2 81 . PHE . 17053 2 82 . GLU . 17053 2 83 . LEU . 17053 2 84 . ALA . 17053 2 85 . PRO . 17053 2 86 . PRO . 17053 2 87 . ASP . 17053 2 88 . ARG . 17053 2 89 . ILE . 17053 2 90 . SER . 17053 2 91 . PRO . 17053 2 92 . GLU . 17053 2 93 . MET . 17053 2 94 . LYS . 17053 2 95 . GLU . 17053 2 96 . LYS . 17053 2 97 . ILE . 17053 2 98 . GLY . 17053 2 99 . ASN . 17053 2 100 . LEU . 17053 2 101 . SER . 17053 2 102 . PHE . 17053 2 103 . GLN . 17053 2 104 . ASN . 17053 2 105 . TYR . 17053 2 106 . ARG . 17053 2 107 . PRO . 17053 2 108 . ASN . 17053 2 109 . LYS . 17053 2 110 . LYS . 17053 2 111 . ASN . 17053 2 112 . ILE . 17053 2 113 . LEU . 17053 2 114 . VAL . 17053 2 115 . ILE . 17053 2 116 . GLY . 17053 2 117 . PRO . 17053 2 118 . VAL . 17053 2 119 . PRO . 17053 2 120 . GLY . 17053 2 121 . GLN . 17053 2 122 . LYS . 17053 2 123 . TYR . 17053 2 124 . SER . 17053 2 125 . GLU . 17053 2 126 . ILE . 17053 2 127 . THR . 17053 2 128 . PHE . 17053 2 129 . PRO . 17053 2 130 . ILE . 17053 2 131 . LEU . 17053 2 132 . ALA . 17053 2 133 . PRO . 17053 2 134 . ASP . 17053 2 135 . PRO . 17053 2 136 . ALA . 17053 2 137 . THR . 17053 2 138 . ASN . 17053 2 139 . LYS . 17053 2 140 . ASP . 17053 2 141 . VAL . 17053 2 142 . HIS . 17053 2 143 . PHE . 17053 2 144 . LEU . 17053 2 145 . LYS . 17053 2 146 . TYR . 17053 2 147 . PRO . 17053 2 148 . ILE . 17053 2 149 . TYR . 17053 2 150 . VAL . 17053 2 151 . GLY . 17053 2 152 . GLY . 17053 2 153 . ASN . 17053 2 154 . ARG . 17053 2 155 . GLY . 17053 2 156 . ARG . 17053 2 157 . GLY . 17053 2 158 . GLN . 17053 2 159 . ILE . 17053 2 160 . TYR . 17053 2 161 . PRO . 17053 2 162 . ASP . 17053 2 163 . GLY . 17053 2 164 . SER . 17053 2 165 . LYS . 17053 2 166 . SER . 17053 2 167 . ASN . 17053 2 168 . ASN . 17053 2 169 . THR . 17053 2 170 . VAL . 17053 2 171 . TYR . 17053 2 172 . ASN . 17053 2 173 . ALA . 17053 2 174 . THR . 17053 2 175 . ALA . 17053 2 176 . GLY . 17053 2 177 . GLY . 17053 2 178 . ILE . 17053 2 179 . ILE . 17053 2 180 . SER . 17053 2 181 . LYS . 17053 2 182 . ILE . 17053 2 183 . LEU . 17053 2 184 . ARG . 17053 2 185 . LYS . 17053 2 186 . GLU . 17053 2 187 . LYS . 17053 2 188 . GLY . 17053 2 189 . GLY . 17053 2 190 . TYR . 17053 2 191 . GLU . 17053 2 192 . ILE . 17053 2 193 . THR . 17053 2 194 . ILE . 17053 2 195 . VAL . 17053 2 196 . ASP . 17053 2 197 . ALA . 17053 2 198 . SER . 17053 2 199 . ASN . 17053 2 200 . GLU . 17053 2 201 . ARG . 17053 2 202 . GLN . 17053 2 203 . VAL . 17053 2 204 . ILE . 17053 2 205 . ASP . 17053 2 206 . ILE . 17053 2 207 . ILE . 17053 2 208 . PRO . 17053 2 209 . ARG . 17053 2 210 . GLY . 17053 2 211 . LEU . 17053 2 212 . GLU . 17053 2 213 . LEU . 17053 2 214 . LEU . 17053 2 215 . VAL . 17053 2 216 . SER . 17053 2 217 . GLU . 17053 2 218 . GLY . 17053 2 219 . GLU . 17053 2 220 . SER . 17053 2 221 . ILE . 17053 2 222 . LYS . 17053 2 223 . LEU . 17053 2 224 . ASP . 17053 2 225 . GLN . 17053 2 226 . PRO . 17053 2 227 . LEU . 17053 2 228 . THR . 17053 2 229 . SER . 17053 2 230 . ASN . 17053 2 231 . PRO . 17053 2 232 . ASN . 17053 2 233 . VAL . 17053 2 234 . GLY . 17053 2 235 . GLY . 17053 2 236 . PHE . 17053 2 237 . GLY . 17053 2 238 . GLN . 17053 2 239 . GLY . 17053 2 240 . ASP . 17053 2 241 . ALA . 17053 2 242 . GLU . 17053 2 243 . ILE . 17053 2 244 . VAL . 17053 2 245 . LEU . 17053 2 246 . GLN . 17053 2 247 . ASP . 17053 2 248 . PRO . 17053 2 249 . LEU . 17053 2 250 . ARG . 17053 2 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 . TYR 1 1 17053 2 . PRO 2 2 17053 2 . ILE 3 3 17053 2 . PHE 4 4 17053 2 . ALA 5 5 17053 2 . GLN 6 6 17053 2 . GLN 7 7 17053 2 . ASN 8 8 17053 2 . TYR 9 9 17053 2 . GLU 10 10 17053 2 . ASN 11 11 17053 2 . PRO 12 12 17053 2 . ARG 13 13 17053 2 . GLU 14 14 17053 2 . ALA 15 15 17053 2 . THR 16 16 17053 2 . GLY 17 17 17053 2 . ARG 18 18 17053 2 . ILE 19 19 17053 2 . VAL 20 20 17053 2 . CYS 21 21 17053 2 . ALA 22 22 17053 2 . ASN 23 23 17053 2 . CYS 24 24 17053 2 . HIS 25 25 17053 2 . LEU 26 26 17053 2 . ALA 27 27 17053 2 . SER 28 28 17053 2 . LYS 29 29 17053 2 . PRO 30 30 17053 2 . VAL 31 31 17053 2 . ASP 32 32 17053 2 . ILE 33 33 17053 2 . GLU 34 34 17053 2 . VAL 35 35 17053 2 . PRO 36 36 17053 2 . GLN 37 37 17053 2 . ALA 38 38 17053 2 . VAL 39 39 17053 2 . LEU 40 40 17053 2 . PRO 41 41 17053 2 . ASP 42 42 17053 2 . THR 43 43 17053 2 . VAL 44 44 17053 2 . PHE 45 45 17053 2 . GLU 46 46 17053 2 . ALA 47 47 17053 2 . VAL 48 48 17053 2 . VAL 49 49 17053 2 . LYS 50 50 17053 2 . ILE 51 51 17053 2 . PRO 52 52 17053 2 . TYR 53 53 17053 2 . ASP 54 54 17053 2 . MET 55 55 17053 2 . GLN 56 56 17053 2 . LEU 57 57 17053 2 . LYS 58 58 17053 2 . GLN 59 59 17053 2 . VAL 60 60 17053 2 . LEU 61 61 17053 2 . ALA 62 62 17053 2 . ASN 63 63 17053 2 . GLY 64 64 17053 2 . LYS 65 65 17053 2 . LYS 66 66 17053 2 . GLY 67 67 17053 2 . ALA 68 68 17053 2 . LEU 69 69 17053 2 . ASN 70 70 17053 2 . VAL 71 71 17053 2 . GLY 72 72 17053 2 . ALA 73 73 17053 2 . VAL 74 74 17053 2 . LEU 75 75 17053 2 . ILE 76 76 17053 2 . LEU 77 77 17053 2 . PRO 78 78 17053 2 . GLU 79 79 17053 2 . GLY 80 80 17053 2 . PHE 81 81 17053 2 . GLU 82 82 17053 2 . LEU 83 83 17053 2 . ALA 84 84 17053 2 . PRO 85 85 17053 2 . PRO 86 86 17053 2 . ASP 87 87 17053 2 . ARG 88 88 17053 2 . ILE 89 89 17053 2 . SER 90 90 17053 2 . PRO 91 91 17053 2 . GLU 92 92 17053 2 . MET 93 93 17053 2 . LYS 94 94 17053 2 . GLU 95 95 17053 2 . LYS 96 96 17053 2 . ILE 97 97 17053 2 . GLY 98 98 17053 2 . ASN 99 99 17053 2 . LEU 100 100 17053 2 . SER 101 101 17053 2 . PHE 102 102 17053 2 . GLN 103 103 17053 2 . ASN 104 104 17053 2 . TYR 105 105 17053 2 . ARG 106 106 17053 2 . PRO 107 107 17053 2 . ASN 108 108 17053 2 . LYS 109 109 17053 2 . LYS 110 110 17053 2 . ASN 111 111 17053 2 . ILE 112 112 17053 2 . LEU 113 113 17053 2 . VAL 114 114 17053 2 . ILE 115 115 17053 2 . GLY 116 116 17053 2 . PRO 117 117 17053 2 . VAL 118 118 17053 2 . PRO 119 119 17053 2 . GLY 120 120 17053 2 . GLN 121 121 17053 2 . LYS 122 122 17053 2 . TYR 123 123 17053 2 . SER 124 124 17053 2 . GLU 125 125 17053 2 . ILE 126 126 17053 2 . THR 127 127 17053 2 . PHE 128 128 17053 2 . PRO 129 129 17053 2 . ILE 130 130 17053 2 . LEU 131 131 17053 2 . ALA 132 132 17053 2 . PRO 133 133 17053 2 . ASP 134 134 17053 2 . PRO 135 135 17053 2 . ALA 136 136 17053 2 . THR 137 137 17053 2 . ASN 138 138 17053 2 . LYS 139 139 17053 2 . ASP 140 140 17053 2 . VAL 141 141 17053 2 . HIS 142 142 17053 2 . PHE 143 143 17053 2 . LEU 144 144 17053 2 . LYS 145 145 17053 2 . TYR 146 146 17053 2 . PRO 147 147 17053 2 . ILE 148 148 17053 2 . TYR 149 149 17053 2 . VAL 150 150 17053 2 . GLY 151 151 17053 2 . GLY 152 152 17053 2 . ASN 153 153 17053 2 . ARG 154 154 17053 2 . GLY 155 155 17053 2 . ARG 156 156 17053 2 . GLY 157 157 17053 2 . GLN 158 158 17053 2 . ILE 159 159 17053 2 . TYR 160 160 17053 2 . PRO 161 161 17053 2 . ASP 162 162 17053 2 . GLY 163 163 17053 2 . SER 164 164 17053 2 . LYS 165 165 17053 2 . SER 166 166 17053 2 . ASN 167 167 17053 2 . ASN 168 168 17053 2 . THR 169 169 17053 2 . VAL 170 170 17053 2 . TYR 171 171 17053 2 . ASN 172 172 17053 2 . ALA 173 173 17053 2 . THR 174 174 17053 2 . ALA 175 175 17053 2 . GLY 176 176 17053 2 . GLY 177 177 17053 2 . ILE 178 178 17053 2 . ILE 179 179 17053 2 . SER 180 180 17053 2 . LYS 181 181 17053 2 . ILE 182 182 17053 2 . LEU 183 183 17053 2 . ARG 184 184 17053 2 . LYS 185 185 17053 2 . GLU 186 186 17053 2 . LYS 187 187 17053 2 . GLY 188 188 17053 2 . GLY 189 189 17053 2 . TYR 190 190 17053 2 . GLU 191 191 17053 2 . ILE 192 192 17053 2 . THR 193 193 17053 2 . ILE 194 194 17053 2 . VAL 195 195 17053 2 . ASP 196 196 17053 2 . ALA 197 197 17053 2 . SER 198 198 17053 2 . ASN 199 199 17053 2 . GLU 200 200 17053 2 . ARG 201 201 17053 2 . GLN 202 202 17053 2 . VAL 203 203 17053 2 . ILE 204 204 17053 2 . ASP 205 205 17053 2 . ILE 206 206 17053 2 . ILE 207 207 17053 2 . PRO 208 208 17053 2 . ARG 209 209 17053 2 . GLY 210 210 17053 2 . LEU 211 211 17053 2 . GLU 212 212 17053 2 . LEU 213 213 17053 2 . LEU 214 214 17053 2 . VAL 215 215 17053 2 . SER 216 216 17053 2 . GLU 217 217 17053 2 . GLY 218 218 17053 2 . GLU 219 219 17053 2 . SER 220 220 17053 2 . ILE 221 221 17053 2 . LYS 222 222 17053 2 . LEU 223 223 17053 2 . ASP 224 224 17053 2 . GLN 225 225 17053 2 . PRO 226 226 17053 2 . LEU 227 227 17053 2 . THR 228 228 17053 2 . SER 229 229 17053 2 . ASN 230 230 17053 2 . PRO 231 231 17053 2 . ASN 232 232 17053 2 . VAL 233 233 17053 2 . GLY 234 234 17053 2 . GLY 235 235 17053 2 . PHE 236 236 17053 2 . GLY 237 237 17053 2 . GLN 238 238 17053 2 . GLY 239 239 17053 2 . ASP 240 240 17053 2 . ALA 241 241 17053 2 . GLU 242 242 17053 2 . ILE 243 243 17053 2 . VAL 244 244 17053 2 . LEU 245 245 17053 2 . GLN 246 246 17053 2 . ASP 247 247 17053 2 . PRO 248 248 17053 2 . LEU 249 249 17053 2 . ARG 250 250 17053 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 17053 _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 $Cc6 . 1168 organism . 'Nostoc sp. PCC 7119' Nostoc . . Bacteria . Nostoc . . . . . . . . . . . . . . . . . . . . . . 17053 1 2 2 $Cf . 1168 organism . 'Nostoc sp. PCC 7119' Nostoc . . Bacteria . Nostoc . . . . . . . . . . . . . . . . . . . . . . 17053 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 17053 _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 $Cc6 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . 'pEACWT and pEC86' . . . . . . 17053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Cc6 was titrated with the Cf solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17053 1 2 Cc6 [U-15N] . . 1 $Cc6 . . 0.2 . . mM . . . . 17053 1 3 Cf 'natural abundance' . . 2 $Cf . . 3.7 . . mM . . . . 17053 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17053 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17053 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 17053 _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 6.0 . pH 17053 1 pressure 1 . atm 17053 1 temperature 298 . K 17053 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 17053 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 17053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17053 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 17053 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 17053 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17053 2 stop_ save_ save_ORIGIN _Software.Sf_category software _Software.Sf_framecode ORIGIN _Software.Entry_ID 17053 _Software.ID 3 _Software.Name ORIGIN _Software.Version 6.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Microcal Inc., USA)' . . 17053 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17053 3 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 17053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17053 _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 . 600 . . . 17053 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 17053 _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 . . . . . . . . . . . . . . . . 17053 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 17053 _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 17053 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 $AZARA . . 17053 1 2 $ANSIG . . 17053 1 3 $ORIGIN . . 17053 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' Ka 8 2 mM-1 17053 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 Cc6 1 $Cc6 17053 1 1 1 2 Cf 2 $Cf 17053 1 stop_ save_