data_17469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17469 _Entry.Title ; Quantitative NMR spectroscopy of supramolecular complexes: Dynamic side pores in ClpP are important for product release ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-14 _Entry.Accession_date 2011-02-14 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Remco Sprangers . . . 17469 2 Anna Gribun . . . 17469 3 Peter Hwang . M. . 17469 4 Walid Houry . A. . 17469 5 Lewis Kay . E. . 17469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'kinetic rates' 2 17469 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-22 2011-02-14 original author . 17469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16263929 _Citation.Full_citation . _Citation.Title 'Quantitative NMR spectroscopy of supramolecular complexes: dynamic side pores in ClpP are important for product release.' _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 102 _Citation.Journal_issue 46 _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 16678 _Citation.Page_last 16683 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Remco Sprangers . . . 17469 1 2 Anna Gribun . . . 17469 1 3 Peter Hwang . M. . 17469 1 4 Walid Houry . A. . 17469 1 5 Lewis Kay . E. . 17469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17469 _Assembly.ID 1 _Assembly.Name 'ClpP F-S' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 ClpP 1 $ClpP A . yes native no no . . . 17469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ClpP _Entity.Sf_category entity _Entity.Sf_framecode ClpP _Entity.Entry_ID 17469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ClpP _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 ; MSYSGERDNFAPHMALVPMV IEQTSRGERSFDIYSRLLKE RVIFLTGQVEDHMANLIVAQ MLFLEAENPEKDIYLYINSP GGVITAGMSIYDTMQFIKPD VSTICMGQAASMGAFLLTAG AKGKRFCLPNSRVMIHQPLG GYQGQATDIEIHAREILKVK GRMNELMALHTGQSLEQIER DTERDRFLSAPEAVEYGLVD SILTHRN ; _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 207 _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 1TYF . "The Structure Of Clpp At 2.3 Angstrom Resolution Suggests A Model For Atp-Dependent Proteolysis" . . . . . 93.24 193 100.00 100.00 7.62e-139 . . . . 17469 1 2 no PDB 1YG6 . Clpp . . . . . 93.24 193 100.00 100.00 7.62e-139 . . . . 17469 1 3 no PDB 1YG8 . "The Structure Of A V6a Variant Of Clpp" . . . . . 93.24 193 99.48 99.48 2.40e-138 . . . . 17469 1 4 no PDB 2FZS . "Crystal Structure Of E. Coli Clpp With A Peptide Chloromethyl Ketone Covalently Bound At The Active Site" . . . . . 93.24 193 100.00 100.00 7.62e-139 . . . . 17469 1 5 no PDB 3HLN . "Crystal Structure Of Clpp A153c Mutant With Inter-Heptamer Disulfide Bonds" . . . . . 93.24 193 99.48 99.48 4.68e-138 . . . . 17469 1 6 no PDB 3MT6 . "Structure Of Clpp From Escherichia Coli In Complex With Adep1" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 7 no DBJ BAA94668 . "serine protease subunit [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 8 no DBJ BAB33914 . "ATP-dependent proteolytic subunit of clpA-clpP serine protease ClpP [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 9 no DBJ BAE76217 . "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 10 no DBJ BAG75987 . "ATP-dependent Clp protease proteolytic subunit [Escherichia coli SE11]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 11 no DBJ BAH62053 . "ATP-dependent Clp protease proteolytic subunit [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 207 99.03 99.03 1.08e-148 . . . . 17469 1 12 no EMBL CAD08907 . "ATP-dependent clp protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 13 no EMBL CAP74971 . "ATP-dependent Clp protease proteolytic subunit [Escherichia coli LF82]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 14 no EMBL CAQ30909 . "clpP, subunit of ClpP serine protease, ClpAP, ClpXP and ClpAXP [Escherichia coli BL21(DE3)]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 15 no EMBL CAQ90075 . "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 16 no EMBL CAQ97313 . "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia coli IAI1]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 17 no GB AAA23588 . "ATP-dependent protease (clpP) [Escherichia coli]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 18 no GB AAB40193 . "ATP-dependent Clp proteinase [Escherichia coli]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 19 no GB AAC73540 . "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 20 no GB AAG54787 . "ATP-dependent proteolytic subunit of clpA-clpP serine protease, heat shock protein F21.5 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 21 no GB AAL19403 . "proteolytic subunit of clpA-clpP ATP-dependent serine protease [Salmonella enterica subsp. enterica serovar Typhimurium str. LT" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 22 no PIR AC0558 . "ATP-dependent clp protease proteolytic chain [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 23 no REF NP_308518 . "ATP-dependent Clp protease proteolytic subunit [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 24 no REF NP_414971 . "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 25 no REF NP_455045 . "ATP-dependent CLP protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 26 no REF NP_459444 . "ATP-dependent Clp protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 27 no REF NP_706331 . "ATP-dependent Clp protease proteolytic subunit [Shigella flexneri 2a str. 301]" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 28 no SP A1A8A6 . "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 29 no SP A7ZIJ5 . "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 30 no SP A7ZX95 . "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 31 no SP B1J011 . "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" . . . . . 100.00 207 100.00 100.00 6.16e-151 . . . . 17469 1 32 no SP B4SWU1 . "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" . . . . . 100.00 207 99.03 99.03 5.52e-149 . . . . 17469 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17469 1 2 . SER . 17469 1 3 . TYR . 17469 1 4 . SER . 17469 1 5 . GLY . 17469 1 6 . GLU . 17469 1 7 . ARG . 17469 1 8 . ASP . 17469 1 9 . ASN . 17469 1 10 . PHE . 17469 1 11 . ALA . 17469 1 12 . PRO . 17469 1 13 . HIS . 17469 1 14 . MET . 17469 1 15 . ALA . 17469 1 16 . LEU . 17469 1 17 . VAL . 17469 1 18 . PRO . 17469 1 19 . MET . 17469 1 20 . VAL . 17469 1 21 . ILE . 17469 1 22 . GLU . 17469 1 23 . GLN . 17469 1 24 . THR . 17469 1 25 . SER . 17469 1 26 . ARG . 17469 1 27 . GLY . 17469 1 28 . GLU . 17469 1 29 . ARG . 17469 1 30 . SER . 17469 1 31 . PHE . 17469 1 32 . ASP . 17469 1 33 . ILE . 17469 1 34 . TYR . 17469 1 35 . SER . 17469 1 36 . ARG . 17469 1 37 . LEU . 17469 1 38 . LEU . 17469 1 39 . LYS . 17469 1 40 . GLU . 17469 1 41 . ARG . 17469 1 42 . VAL . 17469 1 43 . ILE . 17469 1 44 . PHE . 17469 1 45 . LEU . 17469 1 46 . THR . 17469 1 47 . GLY . 17469 1 48 . GLN . 17469 1 49 . VAL . 17469 1 50 . GLU . 17469 1 51 . ASP . 17469 1 52 . HIS . 17469 1 53 . MET . 17469 1 54 . ALA . 17469 1 55 . ASN . 17469 1 56 . LEU . 17469 1 57 . ILE . 17469 1 58 . VAL . 17469 1 59 . ALA . 17469 1 60 . GLN . 17469 1 61 . MET . 17469 1 62 . LEU . 17469 1 63 . PHE . 17469 1 64 . LEU . 17469 1 65 . GLU . 17469 1 66 . ALA . 17469 1 67 . GLU . 17469 1 68 . ASN . 17469 1 69 . PRO . 17469 1 70 . GLU . 17469 1 71 . LYS . 17469 1 72 . ASP . 17469 1 73 . ILE . 17469 1 74 . TYR . 17469 1 75 . LEU . 17469 1 76 . TYR . 17469 1 77 . ILE . 17469 1 78 . ASN . 17469 1 79 . SER . 17469 1 80 . PRO . 17469 1 81 . GLY . 17469 1 82 . GLY . 17469 1 83 . VAL . 17469 1 84 . ILE . 17469 1 85 . THR . 17469 1 86 . ALA . 17469 1 87 . GLY . 17469 1 88 . MET . 17469 1 89 . SER . 17469 1 90 . ILE . 17469 1 91 . TYR . 17469 1 92 . ASP . 17469 1 93 . THR . 17469 1 94 . MET . 17469 1 95 . GLN . 17469 1 96 . PHE . 17469 1 97 . ILE . 17469 1 98 . LYS . 17469 1 99 . PRO . 17469 1 100 . ASP . 17469 1 101 . VAL . 17469 1 102 . SER . 17469 1 103 . THR . 17469 1 104 . ILE . 17469 1 105 . CYS . 17469 1 106 . MET . 17469 1 107 . GLY . 17469 1 108 . GLN . 17469 1 109 . ALA . 17469 1 110 . ALA . 17469 1 111 . SER . 17469 1 112 . MET . 17469 1 113 . GLY . 17469 1 114 . ALA . 17469 1 115 . PHE . 17469 1 116 . LEU . 17469 1 117 . LEU . 17469 1 118 . THR . 17469 1 119 . ALA . 17469 1 120 . GLY . 17469 1 121 . ALA . 17469 1 122 . LYS . 17469 1 123 . GLY . 17469 1 124 . LYS . 17469 1 125 . ARG . 17469 1 126 . PHE . 17469 1 127 . CYS . 17469 1 128 . LEU . 17469 1 129 . PRO . 17469 1 130 . ASN . 17469 1 131 . SER . 17469 1 132 . ARG . 17469 1 133 . VAL . 17469 1 134 . MET . 17469 1 135 . ILE . 17469 1 136 . HIS . 17469 1 137 . GLN . 17469 1 138 . PRO . 17469 1 139 . LEU . 17469 1 140 . GLY . 17469 1 141 . GLY . 17469 1 142 . TYR . 17469 1 143 . GLN . 17469 1 144 . GLY . 17469 1 145 . GLN . 17469 1 146 . ALA . 17469 1 147 . THR . 17469 1 148 . ASP . 17469 1 149 . ILE . 17469 1 150 . GLU . 17469 1 151 . ILE . 17469 1 152 . HIS . 17469 1 153 . ALA . 17469 1 154 . ARG . 17469 1 155 . GLU . 17469 1 156 . ILE . 17469 1 157 . LEU . 17469 1 158 . LYS . 17469 1 159 . VAL . 17469 1 160 . LYS . 17469 1 161 . GLY . 17469 1 162 . ARG . 17469 1 163 . MET . 17469 1 164 . ASN . 17469 1 165 . GLU . 17469 1 166 . LEU . 17469 1 167 . MET . 17469 1 168 . ALA . 17469 1 169 . LEU . 17469 1 170 . HIS . 17469 1 171 . THR . 17469 1 172 . GLY . 17469 1 173 . GLN . 17469 1 174 . SER . 17469 1 175 . LEU . 17469 1 176 . GLU . 17469 1 177 . GLN . 17469 1 178 . ILE . 17469 1 179 . GLU . 17469 1 180 . ARG . 17469 1 181 . ASP . 17469 1 182 . THR . 17469 1 183 . GLU . 17469 1 184 . ARG . 17469 1 185 . ASP . 17469 1 186 . ARG . 17469 1 187 . PHE . 17469 1 188 . LEU . 17469 1 189 . SER . 17469 1 190 . ALA . 17469 1 191 . PRO . 17469 1 192 . GLU . 17469 1 193 . ALA . 17469 1 194 . VAL . 17469 1 195 . GLU . 17469 1 196 . TYR . 17469 1 197 . GLY . 17469 1 198 . LEU . 17469 1 199 . VAL . 17469 1 200 . ASP . 17469 1 201 . SER . 17469 1 202 . ILE . 17469 1 203 . LEU . 17469 1 204 . THR . 17469 1 205 . HIS . 17469 1 206 . ARG . 17469 1 207 . ASN . 17469 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17469 1 . SER 2 2 17469 1 . TYR 3 3 17469 1 . SER 4 4 17469 1 . GLY 5 5 17469 1 . GLU 6 6 17469 1 . ARG 7 7 17469 1 . ASP 8 8 17469 1 . ASN 9 9 17469 1 . PHE 10 10 17469 1 . ALA 11 11 17469 1 . PRO 12 12 17469 1 . HIS 13 13 17469 1 . MET 14 14 17469 1 . ALA 15 15 17469 1 . LEU 16 16 17469 1 . VAL 17 17 17469 1 . PRO 18 18 17469 1 . MET 19 19 17469 1 . VAL 20 20 17469 1 . ILE 21 21 17469 1 . GLU 22 22 17469 1 . GLN 23 23 17469 1 . THR 24 24 17469 1 . SER 25 25 17469 1 . ARG 26 26 17469 1 . GLY 27 27 17469 1 . GLU 28 28 17469 1 . ARG 29 29 17469 1 . SER 30 30 17469 1 . PHE 31 31 17469 1 . ASP 32 32 17469 1 . ILE 33 33 17469 1 . TYR 34 34 17469 1 . SER 35 35 17469 1 . ARG 36 36 17469 1 . LEU 37 37 17469 1 . LEU 38 38 17469 1 . LYS 39 39 17469 1 . GLU 40 40 17469 1 . ARG 41 41 17469 1 . VAL 42 42 17469 1 . ILE 43 43 17469 1 . PHE 44 44 17469 1 . LEU 45 45 17469 1 . THR 46 46 17469 1 . GLY 47 47 17469 1 . GLN 48 48 17469 1 . VAL 49 49 17469 1 . GLU 50 50 17469 1 . ASP 51 51 17469 1 . HIS 52 52 17469 1 . MET 53 53 17469 1 . ALA 54 54 17469 1 . ASN 55 55 17469 1 . LEU 56 56 17469 1 . ILE 57 57 17469 1 . VAL 58 58 17469 1 . ALA 59 59 17469 1 . GLN 60 60 17469 1 . MET 61 61 17469 1 . LEU 62 62 17469 1 . PHE 63 63 17469 1 . LEU 64 64 17469 1 . GLU 65 65 17469 1 . ALA 66 66 17469 1 . GLU 67 67 17469 1 . ASN 68 68 17469 1 . PRO 69 69 17469 1 . GLU 70 70 17469 1 . LYS 71 71 17469 1 . ASP 72 72 17469 1 . ILE 73 73 17469 1 . TYR 74 74 17469 1 . LEU 75 75 17469 1 . TYR 76 76 17469 1 . ILE 77 77 17469 1 . ASN 78 78 17469 1 . SER 79 79 17469 1 . PRO 80 80 17469 1 . GLY 81 81 17469 1 . GLY 82 82 17469 1 . VAL 83 83 17469 1 . ILE 84 84 17469 1 . THR 85 85 17469 1 . ALA 86 86 17469 1 . GLY 87 87 17469 1 . MET 88 88 17469 1 . SER 89 89 17469 1 . ILE 90 90 17469 1 . TYR 91 91 17469 1 . ASP 92 92 17469 1 . THR 93 93 17469 1 . MET 94 94 17469 1 . GLN 95 95 17469 1 . PHE 96 96 17469 1 . ILE 97 97 17469 1 . LYS 98 98 17469 1 . PRO 99 99 17469 1 . ASP 100 100 17469 1 . VAL 101 101 17469 1 . SER 102 102 17469 1 . THR 103 103 17469 1 . ILE 104 104 17469 1 . CYS 105 105 17469 1 . MET 106 106 17469 1 . GLY 107 107 17469 1 . GLN 108 108 17469 1 . ALA 109 109 17469 1 . ALA 110 110 17469 1 . SER 111 111 17469 1 . MET 112 112 17469 1 . GLY 113 113 17469 1 . ALA 114 114 17469 1 . PHE 115 115 17469 1 . LEU 116 116 17469 1 . LEU 117 117 17469 1 . THR 118 118 17469 1 . ALA 119 119 17469 1 . GLY 120 120 17469 1 . ALA 121 121 17469 1 . LYS 122 122 17469 1 . GLY 123 123 17469 1 . LYS 124 124 17469 1 . ARG 125 125 17469 1 . PHE 126 126 17469 1 . CYS 127 127 17469 1 . LEU 128 128 17469 1 . PRO 129 129 17469 1 . ASN 130 130 17469 1 . SER 131 131 17469 1 . ARG 132 132 17469 1 . VAL 133 133 17469 1 . MET 134 134 17469 1 . ILE 135 135 17469 1 . HIS 136 136 17469 1 . GLN 137 137 17469 1 . PRO 138 138 17469 1 . LEU 139 139 17469 1 . GLY 140 140 17469 1 . GLY 141 141 17469 1 . TYR 142 142 17469 1 . GLN 143 143 17469 1 . GLY 144 144 17469 1 . GLN 145 145 17469 1 . ALA 146 146 17469 1 . THR 147 147 17469 1 . ASP 148 148 17469 1 . ILE 149 149 17469 1 . GLU 150 150 17469 1 . ILE 151 151 17469 1 . HIS 152 152 17469 1 . ALA 153 153 17469 1 . ARG 154 154 17469 1 . GLU 155 155 17469 1 . ILE 156 156 17469 1 . LEU 157 157 17469 1 . LYS 158 158 17469 1 . VAL 159 159 17469 1 . LYS 160 160 17469 1 . GLY 161 161 17469 1 . ARG 162 162 17469 1 . MET 163 163 17469 1 . ASN 164 164 17469 1 . GLU 165 165 17469 1 . LEU 166 166 17469 1 . MET 167 167 17469 1 . ALA 168 168 17469 1 . LEU 169 169 17469 1 . HIS 170 170 17469 1 . THR 171 171 17469 1 . GLY 172 172 17469 1 . GLN 173 173 17469 1 . SER 174 174 17469 1 . LEU 175 175 17469 1 . GLU 176 176 17469 1 . GLN 177 177 17469 1 . ILE 178 178 17469 1 . GLU 179 179 17469 1 . ARG 180 180 17469 1 . ASP 181 181 17469 1 . THR 182 182 17469 1 . GLU 183 183 17469 1 . ARG 184 184 17469 1 . ASP 185 185 17469 1 . ARG 186 186 17469 1 . PHE 187 187 17469 1 . LEU 188 188 17469 1 . SER 189 189 17469 1 . ALA 190 190 17469 1 . PRO 191 191 17469 1 . GLU 192 192 17469 1 . ALA 193 193 17469 1 . VAL 194 194 17469 1 . GLU 195 195 17469 1 . TYR 196 196 17469 1 . GLY 197 197 17469 1 . LEU 198 198 17469 1 . VAL 199 199 17469 1 . ASP 200 200 17469 1 . SER 201 201 17469 1 . ILE 202 202 17469 1 . LEU 203 203 17469 1 . THR 204 204 17469 1 . HIS 205 205 17469 1 . ARG 206 206 17469 1 . ASN 207 207 17469 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 17469 _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 $ClpP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . 17469 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 17469 _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 $ClpP . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 17469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17469 _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 ClpP 'natural abundance' . . 1 $ClpP . . . 0.3 0.5 mM . . . . 17469 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17469 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17469 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17469 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17469 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 17469 _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 6.8 . pH 17469 1 pressure 1 . atm 17469 1 temperature 273.65 . K 17469 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17469 _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' . . 17469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17469 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17469 _Software.ID 2 _Software.Name NMRDraw _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' . . 17469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17469 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 17469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17469 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17469 _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 Varian INOVA . 600 . . . 17469 1 2 spectrometer_2 Varian INOVA . 800 . . . 17469 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 17469 _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 'Methyl TROSY relaxation dispersion' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17469 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 17469 _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 'Methyl TROSY relaxation dispersion' 1 $sample_1 isotropic 17469 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 . . 17469 1 2 $NMRDraw . . 17469 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 1 149 149 ILE . . . kex 60.8 . . 7.0 s-1 . . . . . 17469 1 2 1 . 1 1 149 149 ILE . . . kex 67.5 . . 2.5 s-1 . . . . . 17469 1 stop_ save_