data_17340 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17340 _Entry.Title ; An Antibody Binding Site on Cytochrome c Defined by Hydrogen Exchange and Two-Dimensional NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-02 _Entry.Accession_date 2010-12-02 _Entry.Last_release_date 2016-06-09 _Entry.Original_release_date 2016-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Yvonne Paterson . S. . . 17340 2 S. Englander . W. . . 17340 3 Heinrich Roder . . . . 17340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17340 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 . . 2016-06-09 . original BMRB . 17340 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17340 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1697101 _Citation.Full_citation . _Citation.Title ; An Antibody Binding Site on Cytochrome c Defined by Hydrogen Exchange and Two-Dimensional NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 249 _Citation.Journal_issue 4970 _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 755 _Citation.Page_last 759 _Citation.Year 1990 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yvonne Paterson . . . . 17340 1 2 S. Englander . W. . . 17340 1 3 Heinrich Roder . . . . 17340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17340 _Assembly.ID 1 _Assembly.Name 'cytc/MABE8 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 cytc 1 $cytc A . yes native no no . . . 17340 1 2 MABE8 2 $MABE8 B . yes native no no . . . 17340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytc _Entity.Sf_category entity _Entity.Sf_framecode cytc _Entity.Entry_ID 17340 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cytc _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 ; GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE ; _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 104 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 1U75 . . . . . . . . . . . . . . . . 17340 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 . GLY . 17340 1 2 . ASP . 17340 1 3 . VAL . 17340 1 4 . GLU . 17340 1 5 . LYS . 17340 1 6 . GLY . 17340 1 7 . LYS . 17340 1 8 . LYS . 17340 1 9 . ILE . 17340 1 10 . PHE . 17340 1 11 . VAL . 17340 1 12 . GLN . 17340 1 13 . LYS . 17340 1 14 . CYS . 17340 1 15 . ALA . 17340 1 16 . GLN . 17340 1 17 . CYS . 17340 1 18 . HIS . 17340 1 19 . THR . 17340 1 20 . VAL . 17340 1 21 . GLU . 17340 1 22 . LYS . 17340 1 23 . GLY . 17340 1 24 . GLY . 17340 1 25 . LYS . 17340 1 26 . HIS . 17340 1 27 . LYS . 17340 1 28 . THR . 17340 1 29 . GLY . 17340 1 30 . PRO . 17340 1 31 . ASN . 17340 1 32 . LEU . 17340 1 33 . HIS . 17340 1 34 . GLY . 17340 1 35 . LEU . 17340 1 36 . PHE . 17340 1 37 . GLY . 17340 1 38 . ARG . 17340 1 39 . LYS . 17340 1 40 . THR . 17340 1 41 . GLY . 17340 1 42 . GLN . 17340 1 43 . ALA . 17340 1 44 . PRO . 17340 1 45 . GLY . 17340 1 46 . PHE . 17340 1 47 . THR . 17340 1 48 . TYR . 17340 1 49 . THR . 17340 1 50 . ASP . 17340 1 51 . ALA . 17340 1 52 . ASN . 17340 1 53 . LYS . 17340 1 54 . ASN . 17340 1 55 . LYS . 17340 1 56 . GLY . 17340 1 57 . ILE . 17340 1 58 . THR . 17340 1 59 . TRP . 17340 1 60 . LYS . 17340 1 61 . GLU . 17340 1 62 . GLU . 17340 1 63 . THR . 17340 1 64 . LEU . 17340 1 65 . MET . 17340 1 66 . GLU . 17340 1 67 . TYR . 17340 1 68 . LEU . 17340 1 69 . GLU . 17340 1 70 . ASN . 17340 1 71 . PRO . 17340 1 72 . LYS . 17340 1 73 . LYS . 17340 1 74 . TYR . 17340 1 75 . ILE . 17340 1 76 . PRO . 17340 1 77 . GLY . 17340 1 78 . THR . 17340 1 79 . LYS . 17340 1 80 . MET . 17340 1 81 . ILE . 17340 1 82 . PHE . 17340 1 83 . ALA . 17340 1 84 . GLY . 17340 1 85 . ILE . 17340 1 86 . LYS . 17340 1 87 . LYS . 17340 1 88 . LYS . 17340 1 89 . THR . 17340 1 90 . GLU . 17340 1 91 . ARG . 17340 1 92 . GLU . 17340 1 93 . ASP . 17340 1 94 . LEU . 17340 1 95 . ILE . 17340 1 96 . ALA . 17340 1 97 . TYR . 17340 1 98 . LEU . 17340 1 99 . LYS . 17340 1 100 . LYS . 17340 1 101 . ALA . 17340 1 102 . THR . 17340 1 103 . ASN . 17340 1 104 . GLU . 17340 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 . GLY 1 1 17340 1 . ASP 2 2 17340 1 . VAL 3 3 17340 1 . GLU 4 4 17340 1 . LYS 5 5 17340 1 . GLY 6 6 17340 1 . LYS 7 7 17340 1 . LYS 8 8 17340 1 . ILE 9 9 17340 1 . PHE 10 10 17340 1 . VAL 11 11 17340 1 . GLN 12 12 17340 1 . LYS 13 13 17340 1 . CYS 14 14 17340 1 . ALA 15 15 17340 1 . GLN 16 16 17340 1 . CYS 17 17 17340 1 . HIS 18 18 17340 1 . THR 19 19 17340 1 . VAL 20 20 17340 1 . GLU 21 21 17340 1 . LYS 22 22 17340 1 . GLY 23 23 17340 1 . GLY 24 24 17340 1 . LYS 25 25 17340 1 . HIS 26 26 17340 1 . LYS 27 27 17340 1 . THR 28 28 17340 1 . GLY 29 29 17340 1 . PRO 30 30 17340 1 . ASN 31 31 17340 1 . LEU 32 32 17340 1 . HIS 33 33 17340 1 . GLY 34 34 17340 1 . LEU 35 35 17340 1 . PHE 36 36 17340 1 . GLY 37 37 17340 1 . ARG 38 38 17340 1 . LYS 39 39 17340 1 . THR 40 40 17340 1 . GLY 41 41 17340 1 . GLN 42 42 17340 1 . ALA 43 43 17340 1 . PRO 44 44 17340 1 . GLY 45 45 17340 1 . PHE 46 46 17340 1 . THR 47 47 17340 1 . TYR 48 48 17340 1 . THR 49 49 17340 1 . ASP 50 50 17340 1 . ALA 51 51 17340 1 . ASN 52 52 17340 1 . LYS 53 53 17340 1 . ASN 54 54 17340 1 . LYS 55 55 17340 1 . GLY 56 56 17340 1 . ILE 57 57 17340 1 . THR 58 58 17340 1 . TRP 59 59 17340 1 . LYS 60 60 17340 1 . GLU 61 61 17340 1 . GLU 62 62 17340 1 . THR 63 63 17340 1 . LEU 64 64 17340 1 . MET 65 65 17340 1 . GLU 66 66 17340 1 . TYR 67 67 17340 1 . LEU 68 68 17340 1 . GLU 69 69 17340 1 . ASN 70 70 17340 1 . PRO 71 71 17340 1 . LYS 72 72 17340 1 . LYS 73 73 17340 1 . TYR 74 74 17340 1 . ILE 75 75 17340 1 . PRO 76 76 17340 1 . GLY 77 77 17340 1 . THR 78 78 17340 1 . LYS 79 79 17340 1 . MET 80 80 17340 1 . ILE 81 81 17340 1 . PHE 82 82 17340 1 . ALA 83 83 17340 1 . GLY 84 84 17340 1 . ILE 85 85 17340 1 . LYS 86 86 17340 1 . LYS 87 87 17340 1 . LYS 88 88 17340 1 . THR 89 89 17340 1 . GLU 90 90 17340 1 . ARG 91 91 17340 1 . GLU 92 92 17340 1 . ASP 93 93 17340 1 . LEU 94 94 17340 1 . ILE 95 95 17340 1 . ALA 96 96 17340 1 . TYR 97 97 17340 1 . LEU 98 98 17340 1 . LYS 99 99 17340 1 . LYS 100 100 17340 1 . ALA 101 101 17340 1 . THR 102 102 17340 1 . ASN 103 103 17340 1 . GLU 104 104 17340 1 stop_ save_ save_MABE8 _Entity.Sf_category entity _Entity.Sf_framecode MABE8 _Entity.Entry_ID 17340 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MABE8 _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 ; EVQLQQSGAELVKPGASVKL SCTASGFNIKDTYMHWVKQR PEKGLEWIGRIDPASGNTKY DPKFQDKATITADTSSNTAY LQLSSLTSEDTAVYYCAGYD YGNFDYWGQGTTLTVSSAET TPPSVYPLAPGTAALKSSMV TLGCLVKGYFPEPVTVTWNS GSLSSGVHTFPAVLQSDLYT LSSSVTVPSSTWPSQTVTCN VAHPASSTKVDKKIVPRNC ; _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 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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_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 yes PDB 1QBM . . . . . . . . . . . . . . . . 17340 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 . GLU . 17340 2 2 . VAL . 17340 2 3 . GLN . 17340 2 4 . LEU . 17340 2 5 . GLN . 17340 2 6 . GLN . 17340 2 7 . SER . 17340 2 8 . GLY . 17340 2 9 . ALA . 17340 2 10 . GLU . 17340 2 11 . LEU . 17340 2 12 . VAL . 17340 2 13 . LYS . 17340 2 14 . PRO . 17340 2 15 . GLY . 17340 2 16 . ALA . 17340 2 17 . SER . 17340 2 18 . VAL . 17340 2 19 . LYS . 17340 2 20 . LEU . 17340 2 21 . SER . 17340 2 22 . CYS . 17340 2 23 . THR . 17340 2 24 . ALA . 17340 2 25 . SER . 17340 2 26 . GLY . 17340 2 27 . PHE . 17340 2 28 . ASN . 17340 2 29 . ILE . 17340 2 30 . LYS . 17340 2 31 . ASP . 17340 2 32 . THR . 17340 2 33 . TYR . 17340 2 34 . MET . 17340 2 35 . HIS . 17340 2 36 . TRP . 17340 2 37 . VAL . 17340 2 38 . LYS . 17340 2 39 . GLN . 17340 2 40 . ARG . 17340 2 41 . PRO . 17340 2 42 . GLU . 17340 2 43 . LYS . 17340 2 44 . GLY . 17340 2 45 . LEU . 17340 2 46 . GLU . 17340 2 47 . TRP . 17340 2 48 . ILE . 17340 2 49 . GLY . 17340 2 50 . ARG . 17340 2 51 . ILE . 17340 2 52 . ASP . 17340 2 53 . PRO . 17340 2 54 . ALA . 17340 2 55 . SER . 17340 2 56 . GLY . 17340 2 57 . ASN . 17340 2 58 . THR . 17340 2 59 . LYS . 17340 2 60 . TYR . 17340 2 61 . ASP . 17340 2 62 . PRO . 17340 2 63 . LYS . 17340 2 64 . PHE . 17340 2 65 . GLN . 17340 2 66 . ASP . 17340 2 67 . LYS . 17340 2 68 . ALA . 17340 2 69 . THR . 17340 2 70 . ILE . 17340 2 71 . THR . 17340 2 72 . ALA . 17340 2 73 . ASP . 17340 2 74 . THR . 17340 2 75 . SER . 17340 2 76 . SER . 17340 2 77 . ASN . 17340 2 78 . THR . 17340 2 79 . ALA . 17340 2 80 . TYR . 17340 2 81 . LEU . 17340 2 82 . GLN . 17340 2 83 . LEU . 17340 2 84 . SER . 17340 2 85 . SER . 17340 2 86 . LEU . 17340 2 87 . THR . 17340 2 88 . SER . 17340 2 89 . GLU . 17340 2 90 . ASP . 17340 2 91 . THR . 17340 2 92 . ALA . 17340 2 93 . VAL . 17340 2 94 . TYR . 17340 2 95 . TYR . 17340 2 96 . CYS . 17340 2 97 . ALA . 17340 2 98 . GLY . 17340 2 99 . TYR . 17340 2 100 . ASP . 17340 2 101 . TYR . 17340 2 102 . GLY . 17340 2 103 . ASN . 17340 2 104 . PHE . 17340 2 105 . ASP . 17340 2 106 . TYR . 17340 2 107 . TRP . 17340 2 108 . GLY . 17340 2 109 . GLN . 17340 2 110 . GLY . 17340 2 111 . THR . 17340 2 112 . THR . 17340 2 113 . LEU . 17340 2 114 . THR . 17340 2 115 . VAL . 17340 2 116 . SER . 17340 2 117 . SER . 17340 2 118 . ALA . 17340 2 119 . GLU . 17340 2 120 . THR . 17340 2 121 . THR . 17340 2 122 . PRO . 17340 2 123 . PRO . 17340 2 124 . SER . 17340 2 125 . VAL . 17340 2 126 . TYR . 17340 2 127 . PRO . 17340 2 128 . LEU . 17340 2 129 . ALA . 17340 2 130 . PRO . 17340 2 131 . GLY . 17340 2 132 . THR . 17340 2 133 . ALA . 17340 2 134 . ALA . 17340 2 135 . LEU . 17340 2 136 . LYS . 17340 2 137 . SER . 17340 2 138 . SER . 17340 2 139 . MET . 17340 2 140 . VAL . 17340 2 141 . THR . 17340 2 142 . LEU . 17340 2 143 . GLY . 17340 2 144 . CYS . 17340 2 145 . LEU . 17340 2 146 . VAL . 17340 2 147 . LYS . 17340 2 148 . GLY . 17340 2 149 . TYR . 17340 2 150 . PHE . 17340 2 151 . PRO . 17340 2 152 . GLU . 17340 2 153 . PRO . 17340 2 154 . VAL . 17340 2 155 . THR . 17340 2 156 . VAL . 17340 2 157 . THR . 17340 2 158 . TRP . 17340 2 159 . ASN . 17340 2 160 . SER . 17340 2 161 . GLY . 17340 2 162 . SER . 17340 2 163 . LEU . 17340 2 164 . SER . 17340 2 165 . SER . 17340 2 166 . GLY . 17340 2 167 . VAL . 17340 2 168 . HIS . 17340 2 169 . THR . 17340 2 170 . PHE . 17340 2 171 . PRO . 17340 2 172 . ALA . 17340 2 173 . VAL . 17340 2 174 . LEU . 17340 2 175 . GLN . 17340 2 176 . SER . 17340 2 177 . ASP . 17340 2 178 . LEU . 17340 2 179 . TYR . 17340 2 180 . THR . 17340 2 181 . LEU . 17340 2 182 . SER . 17340 2 183 . SER . 17340 2 184 . SER . 17340 2 185 . VAL . 17340 2 186 . THR . 17340 2 187 . VAL . 17340 2 188 . PRO . 17340 2 189 . SER . 17340 2 190 . SER . 17340 2 191 . THR . 17340 2 192 . TRP . 17340 2 193 . PRO . 17340 2 194 . SER . 17340 2 195 . GLN . 17340 2 196 . THR . 17340 2 197 . VAL . 17340 2 198 . THR . 17340 2 199 . CYS . 17340 2 200 . ASN . 17340 2 201 . VAL . 17340 2 202 . ALA . 17340 2 203 . HIS . 17340 2 204 . PRO . 17340 2 205 . ALA . 17340 2 206 . SER . 17340 2 207 . SER . 17340 2 208 . THR . 17340 2 209 . LYS . 17340 2 210 . VAL . 17340 2 211 . ASP . 17340 2 212 . LYS . 17340 2 213 . LYS . 17340 2 214 . ILE . 17340 2 215 . VAL . 17340 2 216 . PRO . 17340 2 217 . ARG . 17340 2 218 . ASN . 17340 2 219 . CYS . 17340 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 . GLU 1 1 17340 2 . VAL 2 2 17340 2 . GLN 3 3 17340 2 . LEU 4 4 17340 2 . GLN 5 5 17340 2 . GLN 6 6 17340 2 . SER 7 7 17340 2 . GLY 8 8 17340 2 . ALA 9 9 17340 2 . GLU 10 10 17340 2 . LEU 11 11 17340 2 . VAL 12 12 17340 2 . LYS 13 13 17340 2 . PRO 14 14 17340 2 . GLY 15 15 17340 2 . ALA 16 16 17340 2 . SER 17 17 17340 2 . VAL 18 18 17340 2 . LYS 19 19 17340 2 . LEU 20 20 17340 2 . SER 21 21 17340 2 . CYS 22 22 17340 2 . THR 23 23 17340 2 . ALA 24 24 17340 2 . SER 25 25 17340 2 . GLY 26 26 17340 2 . PHE 27 27 17340 2 . ASN 28 28 17340 2 . ILE 29 29 17340 2 . LYS 30 30 17340 2 . ASP 31 31 17340 2 . THR 32 32 17340 2 . TYR 33 33 17340 2 . MET 34 34 17340 2 . HIS 35 35 17340 2 . TRP 36 36 17340 2 . VAL 37 37 17340 2 . LYS 38 38 17340 2 . GLN 39 39 17340 2 . ARG 40 40 17340 2 . PRO 41 41 17340 2 . GLU 42 42 17340 2 . LYS 43 43 17340 2 . GLY 44 44 17340 2 . LEU 45 45 17340 2 . GLU 46 46 17340 2 . TRP 47 47 17340 2 . ILE 48 48 17340 2 . GLY 49 49 17340 2 . ARG 50 50 17340 2 . ILE 51 51 17340 2 . ASP 52 52 17340 2 . PRO 53 53 17340 2 . ALA 54 54 17340 2 . SER 55 55 17340 2 . GLY 56 56 17340 2 . ASN 57 57 17340 2 . THR 58 58 17340 2 . LYS 59 59 17340 2 . TYR 60 60 17340 2 . ASP 61 61 17340 2 . PRO 62 62 17340 2 . LYS 63 63 17340 2 . PHE 64 64 17340 2 . GLN 65 65 17340 2 . ASP 66 66 17340 2 . LYS 67 67 17340 2 . ALA 68 68 17340 2 . THR 69 69 17340 2 . ILE 70 70 17340 2 . THR 71 71 17340 2 . ALA 72 72 17340 2 . ASP 73 73 17340 2 . THR 74 74 17340 2 . SER 75 75 17340 2 . SER 76 76 17340 2 . ASN 77 77 17340 2 . THR 78 78 17340 2 . ALA 79 79 17340 2 . TYR 80 80 17340 2 . LEU 81 81 17340 2 . GLN 82 82 17340 2 . LEU 83 83 17340 2 . SER 84 84 17340 2 . SER 85 85 17340 2 . LEU 86 86 17340 2 . THR 87 87 17340 2 . SER 88 88 17340 2 . GLU 89 89 17340 2 . ASP 90 90 17340 2 . THR 91 91 17340 2 . ALA 92 92 17340 2 . VAL 93 93 17340 2 . TYR 94 94 17340 2 . TYR 95 95 17340 2 . CYS 96 96 17340 2 . ALA 97 97 17340 2 . GLY 98 98 17340 2 . TYR 99 99 17340 2 . ASP 100 100 17340 2 . TYR 101 101 17340 2 . GLY 102 102 17340 2 . ASN 103 103 17340 2 . PHE 104 104 17340 2 . ASP 105 105 17340 2 . TYR 106 106 17340 2 . TRP 107 107 17340 2 . GLY 108 108 17340 2 . GLN 109 109 17340 2 . GLY 110 110 17340 2 . THR 111 111 17340 2 . THR 112 112 17340 2 . LEU 113 113 17340 2 . THR 114 114 17340 2 . VAL 115 115 17340 2 . SER 116 116 17340 2 . SER 117 117 17340 2 . ALA 118 118 17340 2 . GLU 119 119 17340 2 . THR 120 120 17340 2 . THR 121 121 17340 2 . PRO 122 122 17340 2 . PRO 123 123 17340 2 . SER 124 124 17340 2 . VAL 125 125 17340 2 . TYR 126 126 17340 2 . PRO 127 127 17340 2 . LEU 128 128 17340 2 . ALA 129 129 17340 2 . PRO 130 130 17340 2 . GLY 131 131 17340 2 . THR 132 132 17340 2 . ALA 133 133 17340 2 . ALA 134 134 17340 2 . LEU 135 135 17340 2 . LYS 136 136 17340 2 . SER 137 137 17340 2 . SER 138 138 17340 2 . MET 139 139 17340 2 . VAL 140 140 17340 2 . THR 141 141 17340 2 . LEU 142 142 17340 2 . GLY 143 143 17340 2 . CYS 144 144 17340 2 . LEU 145 145 17340 2 . VAL 146 146 17340 2 . LYS 147 147 17340 2 . GLY 148 148 17340 2 . TYR 149 149 17340 2 . PHE 150 150 17340 2 . PRO 151 151 17340 2 . GLU 152 152 17340 2 . PRO 153 153 17340 2 . VAL 154 154 17340 2 . THR 155 155 17340 2 . VAL 156 156 17340 2 . THR 157 157 17340 2 . TRP 158 158 17340 2 . ASN 159 159 17340 2 . SER 160 160 17340 2 . GLY 161 161 17340 2 . SER 162 162 17340 2 . LEU 163 163 17340 2 . SER 164 164 17340 2 . SER 165 165 17340 2 . GLY 166 166 17340 2 . VAL 167 167 17340 2 . HIS 168 168 17340 2 . THR 169 169 17340 2 . PHE 170 170 17340 2 . PRO 171 171 17340 2 . ALA 172 172 17340 2 . VAL 173 173 17340 2 . LEU 174 174 17340 2 . GLN 175 175 17340 2 . SER 176 176 17340 2 . ASP 177 177 17340 2 . LEU 178 178 17340 2 . TYR 179 179 17340 2 . THR 180 180 17340 2 . LEU 181 181 17340 2 . SER 182 182 17340 2 . SER 183 183 17340 2 . SER 184 184 17340 2 . VAL 185 185 17340 2 . THR 186 186 17340 2 . VAL 187 187 17340 2 . PRO 188 188 17340 2 . SER 189 189 17340 2 . SER 190 190 17340 2 . THR 191 191 17340 2 . TRP 192 192 17340 2 . PRO 193 193 17340 2 . SER 194 194 17340 2 . GLN 195 195 17340 2 . THR 196 196 17340 2 . VAL 197 197 17340 2 . THR 198 198 17340 2 . CYS 199 199 17340 2 . ASN 200 200 17340 2 . VAL 201 201 17340 2 . ALA 202 202 17340 2 . HIS 203 203 17340 2 . PRO 204 204 17340 2 . ALA 205 205 17340 2 . SER 206 206 17340 2 . SER 207 207 17340 2 . THR 208 208 17340 2 . LYS 209 209 17340 2 . VAL 210 210 17340 2 . ASP 211 211 17340 2 . LYS 212 212 17340 2 . LYS 213 213 17340 2 . ILE 214 214 17340 2 . VAL 215 215 17340 2 . PRO 216 216 17340 2 . ARG 217 217 17340 2 . ASN 218 218 17340 2 . CYS 219 219 17340 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 17340 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cytc . 9796 organism . 'Equus caballus' Horse . . Eukaryota Metazoa Equus caballus . . . . . . . . . . . . . 17340 1 2 2 $MABE8 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 17340 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 17340 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cytc . 'purified from the natural source' . . . . . . . . . . . . . . . . 17340 1 2 2 $MABE8 . 'purified from the natural source' . . . . . . . . . . . . . . . . 17340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17340 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '100% 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 cytc 'natural abundance' . . 1 $cytc . . 1.5 . . mM . . . . 17340 1 2 MABE8 'natural abundance' . . 2 $MABE8 . . . 0 1.5 mM . . . . 17340 1 3 'potassium phosphate' 'natural abundance' . . . . . . .1 . . M . . . . 17340 1 4 'ascorbic acid' 'natural abundance' . . . . . . 9 . . mM . . . . 17340 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17340 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 17340 _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 5.3 . pH 17340 1 pressure 1 . atm 17340 1 temperature 293 . K 17340 1 stop_ save_ ############################ # Computer software used # ############################ save_FTNMR _Software.Sf_category software _Software.Sf_framecode FTNMR _Software.Entry_ID 17340 _Software.ID 1 _Software.Name FTNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hare Research, Woodinville, Washington' . . 17340 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17340 1 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 17340 _Software.ID 2 _Software.Name ModelFree _Software.Version . _Software.Details . 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 17340 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _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 17340 _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 AM . 500 . . . 17340 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 17340 _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 NMR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17340 1 stop_ save_ ######################## # Kinetic parameters # ######################## #################### # Chemical rates # #################### save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17340 _Chemical_rate_list.ID 1 _Chemical_rate_list.Sample_condition_list_ID 1 _Chemical_rate_list.Sample_condition_list_label $sample_conditions_1 _Chemical_rate_list.Details . _Chemical_rate_list.Text_data_format . _Chemical_rate_list.Text_data . loop_ _Chemical_rate_experiment.Experiment_ID _Chemical_rate_experiment.Experiment_name _Chemical_rate_experiment.Sample_ID _Chemical_rate_experiment.Sample_label _Chemical_rate_experiment.Sample_state _Chemical_rate_experiment.Entry_ID _Chemical_rate_experiment.Chemical_rate_list_ID 1 '2D NMR' 1 $sample_1 isotropic 17340 1 stop_ loop_ _Chemical_rate_software.Software_ID _Chemical_rate_software.Software_label _Chemical_rate_software.Method_ID _Chemical_rate_software.Method_label _Chemical_rate_software.Entry_ID _Chemical_rate_software.Chemical_rate_list_ID 1 $ModelFree . . 17340 1 stop_ loop_ _Chemical_rate.ID _Chemical_rate.Assembly_ID _Chemical_rate.Assembly_atom_ID _Chemical_rate.Entity_assembly_ID _Chemical_rate.Entity_ID _Chemical_rate.Comp_index_ID _Chemical_rate.Seq_ID _Chemical_rate.Comp_ID _Chemical_rate.Atom_ID _Chemical_rate.Atom_type _Chemical_rate.Atom_isotope_number _Chemical_rate.Val_type _Chemical_rate.Val _Chemical_rate.Val_min _Chemical_rate.Val_max _Chemical_rate.Val_err _Chemical_rate.Val_units _Chemical_rate.Resonance_ID _Chemical_rate.Auth_entity_assembly_ID _Chemical_rate.Auth_seq_ID _Chemical_rate.Auth_comp_ID _Chemical_rate.Auth_atom_ID _Chemical_rate.Entry_ID _Chemical_rate.Chemical_rate_list_ID 1 1 . 1 1 12 12 GLN . . . 'free rate constant' 0.12 . . . h-1 . . . . . 17340 1 2 1 . 1 1 36 36 PHE . . . 'free rate constant' 0.074 . . . h-1 . . . . . 17340 1 3 1 . 1 1 37 37 GLY . . . 'free rate constant' 0.33 . . . h-1 . . . . . 17340 1 4 1 . 1 1 38 38 ARG . . . 'free rate constant' 1.44 . . . h-1 . . . . . 17340 1 5 1 . 1 1 59 59 TRP . . . 'free rate constant' 0.065 . . . h-1 . . . . . 17340 1 6 1 . 1 1 60 60 LYS . . . 'free rate constant' 0.018 . . . h-1 . . . . . 17340 1 7 1 . 1 1 64 64 LEU . . . 'free rate constant' 0.014 . . . h-1 . . . . . 17340 1 8 1 . 1 1 65 65 MET . . . 'free rate constant' 0.004 . . . h-1 . . . . . 17340 1 9 1 . 1 1 66 66 GLU . . . 'free rate constant' 0.62 . . . h-1 . . . . . 17340 1 10 1 . 1 1 67 67 TYR . . . 'free rate constant' 0.04 . . . h-1 . . . . . 17340 1 11 1 . 1 1 100 100 LYS . . . 'free rate constant' 0.27 . . . h-1 . . . . . 17340 1 12 1 . 1 1 101 101 ALA . . . 'free rate constant' 0.41 . . . h-1 . . . . . 17340 1 13 1 . 1 1 12 12 GLN . . . 'free rate constant' 0.006 . . . h-1 . . . . . 17340 1 14 1 . 1 1 36 36 PHE . . . 'free rate constant' . . 0.001 . h-1 . . . . . 17340 1 15 1 . 1 1 37 37 GLY . . . 'free rate constant' 0.0028 . . . h-1 . . . . . 17340 1 16 1 . 1 1 38 38 ARG . . . 'free rate constant' 0.0042 . . . h-1 . . . . . 17340 1 17 1 . 1 1 59 59 TRP . . . 'free rate constant' . . 0.0005 . h-1 . . . . . 17340 1 18 1 . 1 1 60 60 LYS . . . 'free rate constant' . . 0.0003 . h-1 . . . . . 17340 1 19 1 . 1 1 64 64 LEU . . . 'free rate constant' . . 0.0003 . h-1 . . . . . 17340 1 20 1 . 1 1 65 65 MET . . . 'free rate constant' . . 0.0005 . h-1 . . . . . 17340 1 21 1 . 1 1 66 66 GLU . . . 'free rate constant' 0.073 . . . h-1 . . . . . 17340 1 22 1 . 1 1 67 67 TYR . . . 'free rate constant' 0.0011 . . . h-1 . . . . . 17340 1 23 1 . 1 1 100 100 LYS . . . 'free rate constant' 0.0011 . . . h-1 . . . . . 17340 1 24 1 . 1 1 101 101 ALA . . . 'free rate constant' 0.0018 . . . h-1 . . . . . 17340 1 stop_ save_