data_17469 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Quantitative NMR spectroscopy of supramolecular complexes: Dynamic side pores in ClpP are important for product release ; _BMRB_accession_number 17469 _BMRB_flat_file_name bmr17469.str _Entry_type original _Submission_date 2011-02-14 _Accession_date 2011-02-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sprangers Remco . . 2 Gribun Anna . . 3 Hwang Peter M. . 4 Houry Walid A. . 5 Kay Lewis E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-22 original author . stop_ _Original_release_date 2012-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Quantitative NMR spectroscopy of supramolecular complexes: dynamic side pores in ClpP are important for product release.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16263929 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sprangers Remco . . 2 Gribun Anna . . 3 Hwang Peter M. . 4 Houry Walid A. . 5 Kay Lewis E. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 102 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16678 _Page_last 16683 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ClpP F-S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ClpP $ClpP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ClpP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ClpP _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MSYSGERDNFAPHMALVPMV IEQTSRGERSFDIYSRLLKE RVIFLTGQVEDHMANLIVAQ MLFLEAENPEKDIYLYINSP GGVITAGMSIYDTMQFIKPD VSTICMGQAASMGAFLLTAG AKGKRFCLPNSRVMIHQPLG GYQGQATDIEIHAREILKVK GRMNELMALHTGQSLEQIER DTERDRFLSAPEAVEYGLVD SILTHRN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 TYR 4 SER 5 GLY 6 GLU 7 ARG 8 ASP 9 ASN 10 PHE 11 ALA 12 PRO 13 HIS 14 MET 15 ALA 16 LEU 17 VAL 18 PRO 19 MET 20 VAL 21 ILE 22 GLU 23 GLN 24 THR 25 SER 26 ARG 27 GLY 28 GLU 29 ARG 30 SER 31 PHE 32 ASP 33 ILE 34 TYR 35 SER 36 ARG 37 LEU 38 LEU 39 LYS 40 GLU 41 ARG 42 VAL 43 ILE 44 PHE 45 LEU 46 THR 47 GLY 48 GLN 49 VAL 50 GLU 51 ASP 52 HIS 53 MET 54 ALA 55 ASN 56 LEU 57 ILE 58 VAL 59 ALA 60 GLN 61 MET 62 LEU 63 PHE 64 LEU 65 GLU 66 ALA 67 GLU 68 ASN 69 PRO 70 GLU 71 LYS 72 ASP 73 ILE 74 TYR 75 LEU 76 TYR 77 ILE 78 ASN 79 SER 80 PRO 81 GLY 82 GLY 83 VAL 84 ILE 85 THR 86 ALA 87 GLY 88 MET 89 SER 90 ILE 91 TYR 92 ASP 93 THR 94 MET 95 GLN 96 PHE 97 ILE 98 LYS 99 PRO 100 ASP 101 VAL 102 SER 103 THR 104 ILE 105 CYS 106 MET 107 GLY 108 GLN 109 ALA 110 ALA 111 SER 112 MET 113 GLY 114 ALA 115 PHE 116 LEU 117 LEU 118 THR 119 ALA 120 GLY 121 ALA 122 LYS 123 GLY 124 LYS 125 ARG 126 PHE 127 CYS 128 LEU 129 PRO 130 ASN 131 SER 132 ARG 133 VAL 134 MET 135 ILE 136 HIS 137 GLN 138 PRO 139 LEU 140 GLY 141 GLY 142 TYR 143 GLN 144 GLY 145 GLN 146 ALA 147 THR 148 ASP 149 ILE 150 GLU 151 ILE 152 HIS 153 ALA 154 ARG 155 GLU 156 ILE 157 LEU 158 LYS 159 VAL 160 LYS 161 GLY 162 ARG 163 MET 164 ASN 165 GLU 166 LEU 167 MET 168 ALA 169 LEU 170 HIS 171 THR 172 GLY 173 GLN 174 SER 175 LEU 176 GLU 177 GLN 178 ILE 179 GLU 180 ARG 181 ASP 182 THR 183 GLU 184 ARG 185 ASP 186 ARG 187 PHE 188 LEU 189 SER 190 ALA 191 PRO 192 GLU 193 ALA 194 VAL 195 GLU 196 TYR 197 GLY 198 LEU 199 VAL 200 ASP 201 SER 202 ILE 203 LEU 204 THR 205 HIS 206 ARG 207 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value 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 6.01e-139 PDB 1YG6 Clpp 93.24 193 100.00 100.00 6.01e-139 PDB 1YG8 "The Structure Of A V6a Variant Of Clpp" 93.24 193 99.48 99.48 1.89e-138 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 6.01e-139 PDB 3HLN "Crystal Structure Of Clpp A153c Mutant With Inter-Heptamer Disulfide Bonds" 93.24 193 99.48 99.48 3.69e-138 PDB 3MT6 "Structure Of Clpp From Escherichia Coli In Complex With Adep1" 100.00 207 100.00 100.00 4.85e-151 DBJ BAA94668 "serine protease subunit [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 207 99.03 99.03 4.35e-149 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 4.85e-151 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 4.85e-151 DBJ BAG75987 "ATP-dependent Clp protease proteolytic subunit [Escherichia coli SE11]" 100.00 207 100.00 100.00 4.85e-151 DBJ BAH62053 "ATP-dependent Clp protease proteolytic subunit [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 207 99.03 99.03 8.48e-149 EMBL CAD08907 "ATP-dependent clp protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 207 99.03 99.03 4.35e-149 EMBL CAP74971 "ATP-dependent Clp protease proteolytic subunit [Escherichia coli LF82]" 100.00 207 100.00 100.00 4.85e-151 EMBL CAQ30909 "clpP, subunit of ClpP serine protease, ClpAP, ClpXP and ClpAXP [Escherichia coli BL21(DE3)]" 100.00 207 100.00 100.00 4.85e-151 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 4.85e-151 EMBL CAQ97313 "proteolytic subunit of ClpA-ClpP and ClpX-ClpP ATP-dependent serine proteases [Escherichia coli IAI1]" 100.00 207 100.00 100.00 4.85e-151 GB AAA23588 "ATP-dependent protease (clpP) [Escherichia coli]" 100.00 207 100.00 100.00 4.85e-151 GB AAB40193 "ATP-dependent Clp proteinase [Escherichia coli]" 100.00 207 100.00 100.00 4.85e-151 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 4.85e-151 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 4.85e-151 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 4.35e-149 PIR AC0558 "ATP-dependent clp protease proteolytic chain [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 207 99.03 99.03 4.35e-149 REF NP_308518 "ATP-dependent Clp protease proteolytic subunit [Escherichia coli O157:H7 str. Sakai]" 100.00 207 100.00 100.00 4.85e-151 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 4.85e-151 REF NP_455045 "ATP-dependent CLP protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 207 99.03 99.03 4.35e-149 REF NP_459444 "ATP-dependent Clp protease proteolytic subunit [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 207 99.03 99.03 4.35e-149 REF NP_706331 "ATP-dependent Clp protease proteolytic subunit [Shigella flexneri 2a str. 301]" 100.00 207 100.00 100.00 4.85e-151 SP A1A8A6 "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" 100.00 207 100.00 100.00 4.85e-151 SP A7ZIJ5 "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" 100.00 207 100.00 100.00 4.85e-151 SP A7ZX95 "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" 100.00 207 100.00 100.00 4.85e-151 SP B1J011 "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" 100.00 207 100.00 100.00 4.85e-151 SP B4SWU1 "RecName: Full=ATP-dependent Clp protease proteolytic subunit; AltName: Full=Endopeptidase Clp" 100.00 207 99.03 99.03 4.35e-149 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $ClpP 'E. coli' 562 Bacteria . Escherichia coli BL21 DE3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ClpP 'purified from the natural source' . Escherichia coli . pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ClpP . mM 0.3 0.5 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'sodium azide' 0.03 % . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_Methyl_TROSY_relaxation_dispersion_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Methyl TROSY relaxation dispersion' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 273.65 . K stop_ save_