data_17465 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17465 _Entry.Title ; Structural Characterisation of Apoflavodoxin shows that the Location of the Stable Nucleus Differs Among Proteins with a Flavodoxin-like Topology ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-11 _Entry.Accession_date 2011-02-11 _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 3.1 _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.ORCID _Entry_author.Entry_ID 1 Elles Steensma . . . . 17465 2 Carlo 'van Mierlo' . P.M. . . 17465 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17465 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 . 17465 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17465 _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 ; Structural Characterisation of Apoflavodoxin shows that the Location of the Stable Nucleus Differs Among Proteins with a Flavodoxin-like Topology ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _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 653 _Citation.Page_last 666 _Citation.Year 1998 _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 Elles Steensma . . . . 17465 1 2 Carlo 'van Mierlo' . P.M. . . 17465 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17465 _Assembly.ID 1 _Assembly.Name 'aII exchange' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 aII 1 $aII A . yes native no no . . . 17465 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aII _Entity.Sf_category entity _Entity.Sf_framecode aII _Entity.Entry_ID 17465 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aII _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 ; AKIGLFFGSNTGKTRKVAKS IKKRFDDETMSDALNVNRVS AEDFAQYQFLILGTPTLGEG ELPGLSSDAENESWEEFLPK IEGLDFSGKTVALFGLGDQV GYPENYLDALGELYSFFKDR GAKIVGSWSTDGYEFESSEA VVDGKFVGLALDLDNQSGKT DERVAAWLAQIAPEFGLSL ; _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 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 BMRB 4886 . . . . . . . . . . . . . . . . 17465 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 . ALA . 17465 1 2 . LYS . 17465 1 3 . ILE . 17465 1 4 . GLY . 17465 1 5 . LEU . 17465 1 6 . PHE . 17465 1 7 . PHE . 17465 1 8 . GLY . 17465 1 9 . SER . 17465 1 10 . ASN . 17465 1 11 . THR . 17465 1 12 . GLY . 17465 1 13 . LYS . 17465 1 14 . THR . 17465 1 15 . ARG . 17465 1 16 . LYS . 17465 1 17 . VAL . 17465 1 18 . ALA . 17465 1 19 . LYS . 17465 1 20 . SER . 17465 1 21 . ILE . 17465 1 22 . LYS . 17465 1 23 . LYS . 17465 1 24 . ARG . 17465 1 25 . PHE . 17465 1 26 . ASP . 17465 1 27 . ASP . 17465 1 28 . GLU . 17465 1 29 . THR . 17465 1 30 . MET . 17465 1 31 . SER . 17465 1 32 . ASP . 17465 1 33 . ALA . 17465 1 34 . LEU . 17465 1 35 . ASN . 17465 1 36 . VAL . 17465 1 37 . ASN . 17465 1 38 . ARG . 17465 1 39 . VAL . 17465 1 40 . SER . 17465 1 41 . ALA . 17465 1 42 . GLU . 17465 1 43 . ASP . 17465 1 44 . PHE . 17465 1 45 . ALA . 17465 1 46 . GLN . 17465 1 47 . TYR . 17465 1 48 . GLN . 17465 1 49 . PHE . 17465 1 50 . LEU . 17465 1 51 . ILE . 17465 1 52 . LEU . 17465 1 53 . GLY . 17465 1 54 . THR . 17465 1 55 . PRO . 17465 1 56 . THR . 17465 1 57 . LEU . 17465 1 58 . GLY . 17465 1 59 . GLU . 17465 1 60 . GLY . 17465 1 61 . GLU . 17465 1 62 . LEU . 17465 1 63 . PRO . 17465 1 64 . GLY . 17465 1 65 . LEU . 17465 1 66 . SER . 17465 1 67 . SER . 17465 1 68 . ASP . 17465 1 69 . ALA . 17465 1 70 . GLU . 17465 1 71 . ASN . 17465 1 72 . GLU . 17465 1 73 . SER . 17465 1 74 . TRP . 17465 1 75 . GLU . 17465 1 76 . GLU . 17465 1 77 . PHE . 17465 1 78 . LEU . 17465 1 79 . PRO . 17465 1 80 . LYS . 17465 1 81 . ILE . 17465 1 82 . GLU . 17465 1 83 . GLY . 17465 1 84 . LEU . 17465 1 85 . ASP . 17465 1 86 . PHE . 17465 1 87 . SER . 17465 1 88 . GLY . 17465 1 89 . LYS . 17465 1 90 . THR . 17465 1 91 . VAL . 17465 1 92 . ALA . 17465 1 93 . LEU . 17465 1 94 . PHE . 17465 1 95 . GLY . 17465 1 96 . LEU . 17465 1 97 . GLY . 17465 1 98 . ASP . 17465 1 99 . GLN . 17465 1 100 . VAL . 17465 1 101 . GLY . 17465 1 102 . TYR . 17465 1 103 . PRO . 17465 1 104 . GLU . 17465 1 105 . ASN . 17465 1 106 . TYR . 17465 1 107 . LEU . 17465 1 108 . ASP . 17465 1 109 . ALA . 17465 1 110 . LEU . 17465 1 111 . GLY . 17465 1 112 . GLU . 17465 1 113 . LEU . 17465 1 114 . TYR . 17465 1 115 . SER . 17465 1 116 . PHE . 17465 1 117 . PHE . 17465 1 118 . LYS . 17465 1 119 . ASP . 17465 1 120 . ARG . 17465 1 121 . GLY . 17465 1 122 . ALA . 17465 1 123 . LYS . 17465 1 124 . ILE . 17465 1 125 . VAL . 17465 1 126 . GLY . 17465 1 127 . SER . 17465 1 128 . TRP . 17465 1 129 . SER . 17465 1 130 . THR . 17465 1 131 . ASP . 17465 1 132 . GLY . 17465 1 133 . TYR . 17465 1 134 . GLU . 17465 1 135 . PHE . 17465 1 136 . GLU . 17465 1 137 . SER . 17465 1 138 . SER . 17465 1 139 . GLU . 17465 1 140 . ALA . 17465 1 141 . VAL . 17465 1 142 . VAL . 17465 1 143 . ASP . 17465 1 144 . GLY . 17465 1 145 . LYS . 17465 1 146 . PHE . 17465 1 147 . VAL . 17465 1 148 . GLY . 17465 1 149 . LEU . 17465 1 150 . ALA . 17465 1 151 . LEU . 17465 1 152 . ASP . 17465 1 153 . LEU . 17465 1 154 . ASP . 17465 1 155 . ASN . 17465 1 156 . GLN . 17465 1 157 . SER . 17465 1 158 . GLY . 17465 1 159 . LYS . 17465 1 160 . THR . 17465 1 161 . ASP . 17465 1 162 . GLU . 17465 1 163 . ARG . 17465 1 164 . VAL . 17465 1 165 . ALA . 17465 1 166 . ALA . 17465 1 167 . TRP . 17465 1 168 . LEU . 17465 1 169 . ALA . 17465 1 170 . GLN . 17465 1 171 . ILE . 17465 1 172 . ALA . 17465 1 173 . PRO . 17465 1 174 . GLU . 17465 1 175 . PHE . 17465 1 176 . GLY . 17465 1 177 . LEU . 17465 1 178 . SER . 17465 1 179 . LEU . 17465 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 . ALA 1 1 17465 1 . LYS 2 2 17465 1 . ILE 3 3 17465 1 . GLY 4 4 17465 1 . LEU 5 5 17465 1 . PHE 6 6 17465 1 . PHE 7 7 17465 1 . GLY 8 8 17465 1 . SER 9 9 17465 1 . ASN 10 10 17465 1 . THR 11 11 17465 1 . GLY 12 12 17465 1 . LYS 13 13 17465 1 . THR 14 14 17465 1 . ARG 15 15 17465 1 . LYS 16 16 17465 1 . VAL 17 17 17465 1 . ALA 18 18 17465 1 . LYS 19 19 17465 1 . SER 20 20 17465 1 . ILE 21 21 17465 1 . LYS 22 22 17465 1 . LYS 23 23 17465 1 . ARG 24 24 17465 1 . PHE 25 25 17465 1 . ASP 26 26 17465 1 . ASP 27 27 17465 1 . GLU 28 28 17465 1 . THR 29 29 17465 1 . MET 30 30 17465 1 . SER 31 31 17465 1 . ASP 32 32 17465 1 . ALA 33 33 17465 1 . LEU 34 34 17465 1 . ASN 35 35 17465 1 . VAL 36 36 17465 1 . ASN 37 37 17465 1 . ARG 38 38 17465 1 . VAL 39 39 17465 1 . SER 40 40 17465 1 . ALA 41 41 17465 1 . GLU 42 42 17465 1 . ASP 43 43 17465 1 . PHE 44 44 17465 1 . ALA 45 45 17465 1 . GLN 46 46 17465 1 . TYR 47 47 17465 1 . GLN 48 48 17465 1 . PHE 49 49 17465 1 . LEU 50 50 17465 1 . ILE 51 51 17465 1 . LEU 52 52 17465 1 . GLY 53 53 17465 1 . THR 54 54 17465 1 . PRO 55 55 17465 1 . THR 56 56 17465 1 . LEU 57 57 17465 1 . GLY 58 58 17465 1 . GLU 59 59 17465 1 . GLY 60 60 17465 1 . GLU 61 61 17465 1 . LEU 62 62 17465 1 . PRO 63 63 17465 1 . GLY 64 64 17465 1 . LEU 65 65 17465 1 . SER 66 66 17465 1 . SER 67 67 17465 1 . ASP 68 68 17465 1 . ALA 69 69 17465 1 . GLU 70 70 17465 1 . ASN 71 71 17465 1 . GLU 72 72 17465 1 . SER 73 73 17465 1 . TRP 74 74 17465 1 . GLU 75 75 17465 1 . GLU 76 76 17465 1 . PHE 77 77 17465 1 . LEU 78 78 17465 1 . PRO 79 79 17465 1 . LYS 80 80 17465 1 . ILE 81 81 17465 1 . GLU 82 82 17465 1 . GLY 83 83 17465 1 . LEU 84 84 17465 1 . ASP 85 85 17465 1 . PHE 86 86 17465 1 . SER 87 87 17465 1 . GLY 88 88 17465 1 . LYS 89 89 17465 1 . THR 90 90 17465 1 . VAL 91 91 17465 1 . ALA 92 92 17465 1 . LEU 93 93 17465 1 . PHE 94 94 17465 1 . GLY 95 95 17465 1 . LEU 96 96 17465 1 . GLY 97 97 17465 1 . ASP 98 98 17465 1 . GLN 99 99 17465 1 . VAL 100 100 17465 1 . GLY 101 101 17465 1 . TYR 102 102 17465 1 . PRO 103 103 17465 1 . GLU 104 104 17465 1 . ASN 105 105 17465 1 . TYR 106 106 17465 1 . LEU 107 107 17465 1 . ASP 108 108 17465 1 . ALA 109 109 17465 1 . LEU 110 110 17465 1 . GLY 111 111 17465 1 . GLU 112 112 17465 1 . LEU 113 113 17465 1 . TYR 114 114 17465 1 . SER 115 115 17465 1 . PHE 116 116 17465 1 . PHE 117 117 17465 1 . LYS 118 118 17465 1 . ASP 119 119 17465 1 . ARG 120 120 17465 1 . GLY 121 121 17465 1 . ALA 122 122 17465 1 . LYS 123 123 17465 1 . ILE 124 124 17465 1 . VAL 125 125 17465 1 . GLY 126 126 17465 1 . SER 127 127 17465 1 . TRP 128 128 17465 1 . SER 129 129 17465 1 . THR 130 130 17465 1 . ASP 131 131 17465 1 . GLY 132 132 17465 1 . TYR 133 133 17465 1 . GLU 134 134 17465 1 . PHE 135 135 17465 1 . GLU 136 136 17465 1 . SER 137 137 17465 1 . SER 138 138 17465 1 . GLU 139 139 17465 1 . ALA 140 140 17465 1 . VAL 141 141 17465 1 . VAL 142 142 17465 1 . ASP 143 143 17465 1 . GLY 144 144 17465 1 . LYS 145 145 17465 1 . PHE 146 146 17465 1 . VAL 147 147 17465 1 . GLY 148 148 17465 1 . LEU 149 149 17465 1 . ALA 150 150 17465 1 . LEU 151 151 17465 1 . ASP 152 152 17465 1 . LEU 153 153 17465 1 . ASP 154 154 17465 1 . ASN 155 155 17465 1 . GLN 156 156 17465 1 . SER 157 157 17465 1 . GLY 158 158 17465 1 . LYS 159 159 17465 1 . THR 160 160 17465 1 . ASP 161 161 17465 1 . GLU 162 162 17465 1 . ARG 163 163 17465 1 . VAL 164 164 17465 1 . ALA 165 165 17465 1 . ALA 166 166 17465 1 . TRP 167 167 17465 1 . LEU 168 168 17465 1 . ALA 169 169 17465 1 . GLN 170 170 17465 1 . ILE 171 171 17465 1 . ALA 172 172 17465 1 . PRO 173 173 17465 1 . GLU 174 174 17465 1 . PHE 175 175 17465 1 . GLY 176 176 17465 1 . LEU 177 177 17465 1 . SER 178 178 17465 1 . LEU 179 179 17465 1 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 17465 _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 $aII . 354 organism . 'Azotobacter vinelandii' 'A. vinelandii' . . Bacteria . Azotobacter vinelandii 'ATCC 478' . . . . . . . . . . . . 17465 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 17465 _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 $aII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . ns . . . 17465 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17465 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 aII [U-15N] . . 1 $aII . . 2 . . mM . . . . 17465 1 2 'potassium pyrophosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 17465 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17465 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 17465 _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 17465 1 pressure 1 . atm 17465 1 temperature 303 0.5 K 17465 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17465 _Software.ID 1 _Software.Name FELIX _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17465 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17465 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17465 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17465 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17465 2 'data analysis' 17465 2 'peak picking' 17465 2 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 17465 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 17465 _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 AMX . 500 . . . 17465 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 17465 _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 . . . . . . . . . . . . . . . . 17465 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 17465 _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 1H-15N HSQC' 1 $sample_1 isotropic 17465 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 $Felix . . 17465 1 2 $XEASY . . 17465 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 5 5 LEU . . . kex 0.0000132 . . . . . . . . s-1 17465 1 2 1 . 1 1 6 6 PHE . . . kex 0.0000104 . . . . . . . . s-1 17465 1 3 1 . 1 1 8 8 GLY . . . kex 0.000687 . . . . . . . . s-1 17465 1 4 1 . 1 1 17 17 VAL . . . kex 0.000229 . . . . . . . . s-1 17465 1 5 1 . 1 1 18 18 ALA . . . kex 0.0000908 . . . . . . . . s-1 17465 1 6 1 . 1 1 19 19 LYS . . . kex 0.0000784 . . . . . . . . s-1 17465 1 7 1 . 1 1 21 21 ILE . . . kex 0.0000476 . . . . . . . . s-1 17465 1 8 1 . 1 1 22 22 LYS . . . kex 0.0000472 . . . . . . . . s-1 17465 1 9 1 . 1 1 24 24 ARG . . . kex 0.00155 . . . . . . . . s-1 17465 1 10 1 . 1 1 43 43 ASP . . . kex 0.000898 . . . . . . . . s-1 17465 1 11 1 . 1 1 45 45 ALA . . . kex 0.0000913 . . . . . . . . s-1 17465 1 12 1 . 1 1 46 46 GLN . . . kex 0.00139 . . . . . . . . s-1 17465 1 13 1 . 1 1 47 47 TYR . . . kex 0.000166 . . . . . . . . s-1 17465 1 14 1 . 1 1 49 49 PHE . . . kex 0.0000193 . . . . . . . . s-1 17465 1 15 1 . 1 1 50 50 LEU . . . kex 0.00000157 . . . . . . . . s-1 17465 1 16 1 . 1 1 51 51 ILE . . . kex 0.00000135 . . . . . . . . s-1 17465 1 17 1 . 1 1 52 52 LEU . . . kex 0.00000200 . . . . . . . . s-1 17465 1 18 1 . 1 1 53 53 GLY . . . kex 0.0000197 . . . . . . . . s-1 17465 1 19 1 . 1 1 80 80 LYS . . . kex 0.000126 . . . . . . . . s-1 17465 1 20 1 . 1 1 81 81 ILE . . . kex 0.00000593 . . . . . . . . s-1 17465 1 21 1 . 1 1 82 82 GLU . . . kex 0.0000744 . . . . . . . . s-1 17465 1 22 1 . 1 1 84 84 LEU . . . kex 0.0000831 . . . . . . . . s-1 17465 1 23 1 . 1 1 90 90 THR . . . kex 0.0000181 . . . . . . . . s-1 17465 1 24 1 . 1 1 91 91 VAL . . . kex 0.00000308 . . . . . . . . s-1 17465 1 25 1 . 1 1 93 93 LEU . . . kex 0.00000332 . . . . . . . . s-1 17465 1 26 1 . 1 1 94 94 PHE . . . kex 0.00000214 . . . . . . . . s-1 17465 1 27 1 . 1 1 95 95 GLY . . . kex 0.00000214 . . . . . . . . s-1 17465 1 28 1 . 1 1 97 97 GLY . . . kex 0.000100 . . . . . . . . s-1 17465 1 29 1 . 1 1 100 100 VAL . . . kex 0.000534 . . . . . . . . s-1 17465 1 30 1 . 1 1 110 110 LEU . . . kex 0.00197 . . . . . . . . s-1 17465 1 31 1 . 1 1 111 111 GLY . . . kex 0.0000546 . . . . . . . . s-1 17465 1 32 1 . 1 1 113 113 LEU . . . kex 0.0000490 . . . . . . . . s-1 17465 1 33 1 . 1 1 114 114 TYR . . . kex . . 0.0000001 . . . . . . s-1 17465 1 34 1 . 1 1 117 117 PHE . . . kex . . 0.0000001 . . . . . . s-1 17465 1 35 1 . 1 1 118 118 LYS . . . kex 0.00000194 . . . . . . . . s-1 17465 1 36 1 . 1 1 119 119 ASP . . . kex 0.000923 . . . . . . . . s-1 17465 1 37 1 . 1 1 120 120 ARG . . . kex 0.0000118 . . . . . . . . s-1 17465 1 38 1 . 1 1 123 123 LYS . . . kex 0.0000139 . . . . . . . . s-1 17465 1 39 1 . 1 1 125 125 VAL . . . kex 0.00000295 . . . . . . . . s-1 17465 1 40 1 . 1 1 128 128 TRP . . . kex 0.000610 . . . . . . . . s-1 17465 1 41 1 . 1 1 140 140 ALA . . . kex 0.00111 . . . . . . . . s-1 17465 1 42 1 . 1 1 141 141 VAL . . . kex 0.000429 . . . . . . . . s-1 17465 1 43 1 . 1 1 142 142 VAL . . . kex 0.000465 . . . . . . . . s-1 17465 1 44 1 . 1 1 145 145 LYS . . . kex 0.00152 . . . . . . . . s-1 17465 1 45 1 . 1 1 146 146 PHE . . . kex 0.000608 . . . . . . . . s-1 17465 1 46 1 . 1 1 147 147 VAL . . . kex 0.000259 . . . . . . . . s-1 17465 1 47 1 . 1 1 148 148 GLY . . . kex 0.000583 . . . . . . . . s-1 17465 1 48 1 . 1 1 149 149 LEU . . . kex 0.000300 . . . . . . . . s-1 17465 1 49 1 . 1 1 150 150 ALA . . . kex 0.000552 . . . . . . . . s-1 17465 1 50 1 . 1 1 151 151 LEU . . . kex 0.000196 . . . . . . . . s-1 17465 1 51 1 . 1 1 165 165 ALA . . . kex 0.0000227 . . . . . . . . s-1 17465 1 52 1 . 1 1 167 167 TRP . . . kex 0.00000427 . . . . . . . . s-1 17465 1 53 1 . 1 1 168 168 LEU . . . kex 0.00000113 . . . . . . . . s-1 17465 1 54 1 . 1 1 169 169 ALA . . . kex 0.00000259 . . . . . . . . s-1 17465 1 55 1 . 1 1 170 170 GLN . . . kex 0.00000663 . . . . . . . . s-1 17465 1 56 1 . 1 1 171 171 ILE . . . kex 0.00000251 . . . . . . . . s-1 17465 1 57 1 . 1 1 172 172 ALA . . . kex 0.00000427 . . . . . . . . s-1 17465 1 58 1 . 1 1 177 177 LEU . . . kex 0.000804 . . . . . . . . s-1 17465 1 stop_ save_