data_17223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17223 _Entry.Title ; Measurement of bond vector orientations in invisible excited states of proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-29 _Entry.Accession_date 2010-09-29 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _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 Pramodh Vallurupalli . . . 17223 2 D. Hansen . F. . 17223 3 Elliott Stollar . . . 17223 4 Eva Meirovitch . . . 17223 5 Lewis Kay . E. . 17223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID 'chemical rates' 1 17223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 17223 'kinetic rates' 1 17223 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 . . 2010-11-10 2010-09-29 original author . 17223 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17223 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18006656 _Citation.Full_citation . _Citation.Title 'Measurement of bond vector orientations in invisible excited states of proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 104 _Citation.Journal_issue 47 _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 18473 _Citation.Page_last 18477 _Citation.Year 2007 _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 Pramodh Vallurupalli . . . 17223 1 2 D. Hansen . F. . 17223 1 3 Elliott Stollar . . . 17223 1 4 Eva Meirovitch . . . 17223 1 5 Lewis Kay . E. . 17223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17223 _Assembly.ID 1 _Assembly.Name 'Ark1p/SH3 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 Ark1p 1 $Ark1p A . yes native no no . . . 17223 1 2 SH3 2 $SH3 B . yes native no no . . . 17223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ark1p _Entity.Sf_category entity _Entity.Sf_framecode Ark1p _Entity.Entry_ID 17223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ark1p _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 KKTKPTPPPKPSHLKPK _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 17 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RPN . "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" . . . . . 100.00 18 100.00 100.00 9.71e+00 . . . . 17223 1 2 no DBJ GAA26063 . "K7_Ark1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 1 3 no EMBL CAA95882 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 1 4 no GB AHY77072 . "Ark1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 638 100.00 100.00 4.56e+00 . . . . 17223 1 5 no GB AJP41309 . "Ark1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 638 100.00 100.00 4.47e+00 . . . . 17223 1 6 no GB AJT01746 . "Ark1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 638 100.00 100.00 4.56e+00 . . . . 17223 1 7 no GB AJT02116 . "Ark1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 1 8 no GB AJT02860 . "Ark1p [Saccharomyces cerevisiae YJM244]" . . . . . 100.00 638 100.00 100.00 4.56e+00 . . . . 17223 1 9 no REF NP_014378 . "serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 1 10 no SP P53974 . "RecName: Full=Actin-regulating kinase 1" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 1 11 no TPG DAA10525 . "TPA: serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 638 100.00 100.00 4.51e+00 . . . . 17223 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 . LYS . 17223 1 2 . LYS . 17223 1 3 . THR . 17223 1 4 . LYS . 17223 1 5 . PRO . 17223 1 6 . THR . 17223 1 7 . PRO . 17223 1 8 . PRO . 17223 1 9 . PRO . 17223 1 10 . LYS . 17223 1 11 . PRO . 17223 1 12 . SER . 17223 1 13 . HIS . 17223 1 14 . LEU . 17223 1 15 . LYS . 17223 1 16 . PRO . 17223 1 17 . LYS . 17223 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 . LYS 1 1 17223 1 . LYS 2 2 17223 1 . THR 3 3 17223 1 . LYS 4 4 17223 1 . PRO 5 5 17223 1 . THR 6 6 17223 1 . PRO 7 7 17223 1 . PRO 8 8 17223 1 . PRO 9 9 17223 1 . LYS 10 10 17223 1 . PRO 11 11 17223 1 . SER 12 12 17223 1 . HIS 13 13 17223 1 . LEU 14 14 17223 1 . LYS 15 15 17223 1 . PRO 16 16 17223 1 . LYS 17 17 17223 1 stop_ save_ save_SH3 _Entity.Sf_category entity _Entity.Sf_framecode SH3 _Entity.Entry_ID 17223 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SH3 _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 ; APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN ; _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 59 _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 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 BMRB 16843 . Abp1p . . . . . 100.00 62 100.00 100.00 4.12e-33 . . . . 17223 2 2 no BMRB 18054 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 3 no BMRB 18055 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 4 no BMRB 18056 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 5 no BMRB 18057 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 6 no BMRB 18058 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 7 no BMRB 18059 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 8 no BMRB 18060 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 9 no BMRB 18061 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 10 no BMRB 18062 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 11 no BMRB 18063 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 12 no BMRB 18064 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 13 no BMRB 18065 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 14 no BMRB 18066 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 15 no BMRB 18067 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 16 no BMRB 18068 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 17 no BMRB 18069 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 18 no BMRB 18070 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 19 no BMRB 18071 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 20 no BMRB 18072 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 21 no BMRB 18073 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 22 no BMRB 18074 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 23 no BMRB 18075 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 24 no BMRB 18076 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 25 no BMRB 18077 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 26 no BMRB 18078 . AbpSH3 . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 27 no BMRB 25354 . Abp1p_SH3 . . . . . 100.00 62 100.00 100.00 4.12e-33 . . . . 17223 2 28 no PDB 1JO8 . "Structural Analysis Of The Yeast Actin Binding Protein Abp1 Sh3 Domain" . . . . . 98.31 58 100.00 100.00 2.53e-32 . . . . 17223 2 29 no PDB 2K3B . "Seeing The Invisible: Structures Of Excited Protein States By Relaxation Dispersion Nmr" . . . . . 100.00 62 100.00 100.00 4.12e-33 . . . . 17223 2 30 no PDB 2RPN . "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" . . . . . 100.00 59 100.00 100.00 6.19e-33 . . . . 17223 2 31 no DBJ GAA21988 . "K7_Abp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.31 592 100.00 100.00 4.93e-32 . . . . 17223 2 32 no EMBL CAA36075 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 98.31 592 100.00 100.00 5.35e-32 . . . . 17223 2 33 no EMBL CAA42253 . "actin-binding protein [Saccharomyces cerevisiae]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 2 34 no EMBL CAY78291 . "Abp1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.31 592 100.00 100.00 4.78e-32 . . . . 17223 2 35 no GB AHN96147 . "ABP1 [synthetic construct]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 2 36 no GB AHV79349 . "ABP1 [synthetic construct]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 2 37 no GB AHY79755 . "Abp1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.31 592 100.00 100.00 4.93e-32 . . . . 17223 2 38 no GB EDN62198 . "actin binding protein [Saccharomyces cerevisiae YJM789]" . . . . . 98.31 592 100.00 100.00 4.93e-32 . . . . 17223 2 39 no GB EDV09772 . "actin binding protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 98.31 592 100.00 100.00 4.93e-32 . . . . 17223 2 40 no PRF 1603360A . "actin binding protein" . . . . . 98.31 592 100.00 100.00 5.46e-32 . . . . 17223 2 41 no REF NP_010012 . "Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 2 42 no REF XP_011102734 . "abp1p [Saccharomyces arboricola H-6]" . . . . . 98.31 595 98.28 100.00 6.96e-32 . . . . 17223 2 43 no SP P15891 . "RecName: Full=Actin-binding protein [Saccharomyces cerevisiae S288c]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 2 44 no TPG DAA07557 . "TPA: Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 98.31 592 100.00 100.00 5.63e-32 . . . . 17223 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 . ALA . 17223 2 2 . PRO . 17223 2 3 . TRP . 17223 2 4 . ALA . 17223 2 5 . THR . 17223 2 6 . ALA . 17223 2 7 . GLU . 17223 2 8 . TYR . 17223 2 9 . ASP . 17223 2 10 . TYR . 17223 2 11 . ASP . 17223 2 12 . ALA . 17223 2 13 . ALA . 17223 2 14 . GLU . 17223 2 15 . ASP . 17223 2 16 . ASN . 17223 2 17 . GLU . 17223 2 18 . LEU . 17223 2 19 . THR . 17223 2 20 . PHE . 17223 2 21 . VAL . 17223 2 22 . GLU . 17223 2 23 . ASN . 17223 2 24 . ASP . 17223 2 25 . LYS . 17223 2 26 . ILE . 17223 2 27 . ILE . 17223 2 28 . ASN . 17223 2 29 . ILE . 17223 2 30 . GLU . 17223 2 31 . PHE . 17223 2 32 . VAL . 17223 2 33 . ASP . 17223 2 34 . ASP . 17223 2 35 . ASP . 17223 2 36 . TRP . 17223 2 37 . TRP . 17223 2 38 . LEU . 17223 2 39 . GLY . 17223 2 40 . GLU . 17223 2 41 . LEU . 17223 2 42 . GLU . 17223 2 43 . LYS . 17223 2 44 . ASP . 17223 2 45 . GLY . 17223 2 46 . SER . 17223 2 47 . LYS . 17223 2 48 . GLY . 17223 2 49 . LEU . 17223 2 50 . PHE . 17223 2 51 . PRO . 17223 2 52 . SER . 17223 2 53 . ASN . 17223 2 54 . TYR . 17223 2 55 . VAL . 17223 2 56 . SER . 17223 2 57 . LEU . 17223 2 58 . GLY . 17223 2 59 . ASN . 17223 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 . ALA 1 1 17223 2 . PRO 2 2 17223 2 . TRP 3 3 17223 2 . ALA 4 4 17223 2 . THR 5 5 17223 2 . ALA 6 6 17223 2 . GLU 7 7 17223 2 . TYR 8 8 17223 2 . ASP 9 9 17223 2 . TYR 10 10 17223 2 . ASP 11 11 17223 2 . ALA 12 12 17223 2 . ALA 13 13 17223 2 . GLU 14 14 17223 2 . ASP 15 15 17223 2 . ASN 16 16 17223 2 . GLU 17 17 17223 2 . LEU 18 18 17223 2 . THR 19 19 17223 2 . PHE 20 20 17223 2 . VAL 21 21 17223 2 . GLU 22 22 17223 2 . ASN 23 23 17223 2 . ASP 24 24 17223 2 . LYS 25 25 17223 2 . ILE 26 26 17223 2 . ILE 27 27 17223 2 . ASN 28 28 17223 2 . ILE 29 29 17223 2 . GLU 30 30 17223 2 . PHE 31 31 17223 2 . VAL 32 32 17223 2 . ASP 33 33 17223 2 . ASP 34 34 17223 2 . ASP 35 35 17223 2 . TRP 36 36 17223 2 . TRP 37 37 17223 2 . LEU 38 38 17223 2 . GLY 39 39 17223 2 . GLU 40 40 17223 2 . LEU 41 41 17223 2 . GLU 42 42 17223 2 . LYS 43 43 17223 2 . ASP 44 44 17223 2 . GLY 45 45 17223 2 . SER 46 46 17223 2 . LYS 47 47 17223 2 . GLY 48 48 17223 2 . LEU 49 49 17223 2 . PHE 50 50 17223 2 . PRO 51 51 17223 2 . SER 52 52 17223 2 . ASN 53 53 17223 2 . TYR 54 54 17223 2 . VAL 55 55 17223 2 . SER 56 56 17223 2 . LEU 57 57 17223 2 . GLY 58 58 17223 2 . ASN 59 59 17223 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 17223 _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 $Ark1p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17223 1 2 2 $SH3 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17223 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 17223 _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 $Ark1p . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . na . . . . . . 17223 1 2 2 $SH3 . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . na . . . . . . 17223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17223 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Ark1p bound to SH3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ark1p 'natural abundance' . . 1 $Ark1p . . 6.8 . . % . . . . 17223 1 2 SH3 '[U-15N, 90% U2H]' . . 2 $SH3 . . 1.3 . . mM . . . . 17223 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17223 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17223 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17223 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 17223 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17223 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17223 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 17223 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 17223 1 pressure ambient . atm 17223 1 temperature 298 . K 17223 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17223 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17223 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17223 1 processing 17223 1 stop_ save_ save_FuDA _Software.Sf_category software _Software.Sf_framecode FuDA _Software.Entry_ID 17223 _Software.ID 2 _Software.Name FuDA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'D. Flemming Hansen' . . 17223 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17223 2 'peak picking' 17223 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 17223 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer na _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17223 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer na _NMR_spectrometer.Model na _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17223 _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 . . . 500 . . . 17223 1 2 spectrometer_2 . . . 800 . . . 17223 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 17223 _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 '1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17223 1 stop_ save_ save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17223 _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 '1H-15N TROSY-HSQC' 1 $sample_1 isotropic 17223 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 $NMRPipe . . 17223 1 2 $FuDA . . 17223 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 . . . . . . koff 350 . . 10 s-1 . . . . . 17223 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 17223 _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 '1H-15N TROSY-HSQC' 1 $sample_1 isotropic 17223 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 $NMRPipe . . 17223 1 2 $FuDA . . 17223 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' kon 630 70 MM-1s-1 17223 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 Ark1p 1 $Ark1p 17223 1 1 1 2 SH3 2 $SH3 17223 1 stop_ save_