data_17095 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Identification by NMR of the Binding Surface for the Histidine-Containing Phosphocarrier Protein HPr on the N-Terminal Domain of Enzyme of the Escherichia coli Phophotransferase System ; _BMRB_accession_number 17095 _BMRB_flat_file_name bmr17095.str _Entry_type original _Submission_date 2010-08-02 _Accession_date 2010-08-02 _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 Garrett Daniel S. . 2 Seok Yeong-Jae . . 3 Peterkofsky Alan . . 4 Clore G. M. . 5 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ _Original_release_date 2010-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification by NMR of the Binding Surface for the Histidine-Containing Phosphocarrier Protein HPr on the N-Terminal Domain of Enzyme I of the Escherichia coli Phosphotransferase System' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9109646 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garrett Daniel S. . 2 Seok Yeong-Jae . . 3 Peterkofsky Alan . . 4 Clore G. M. . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 36 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4393 _Page_last 4398 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EIN HPr complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EIN $EIN HPr $HPr 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_EIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EIN _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'Enzyme I' ############################## # Polymer residue sequence # ############################## _Residue_count 259 _Mol_residue_sequence ; MISGILASPGIAFGKALLLK EDEIVIDRKKISADQVDQEV ERFLSGRAKASAQLETIKTK AGETFGEEKEAIFEGHIMLL EDEELEQEIIALIKDKHMTA DAAAHEVIEGQASALEELDD EYLKERAADVRDIGKRLLRN ILGLKIIDLSAIQDEVILVA ADLTPSETAQLNLKKVLGFI TDAGGRTSHTSIMARSLELP AIVGTGSVTSQVKNDDYLIL DAVNNQVYVNPTNEVIDKMR AVQEQVASEKAELAKLKDR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 SER 4 GLY 5 ILE 6 LEU 7 ALA 8 SER 9 PRO 10 GLY 11 ILE 12 ALA 13 PHE 14 GLY 15 LYS 16 ALA 17 LEU 18 LEU 19 LEU 20 LYS 21 GLU 22 ASP 23 GLU 24 ILE 25 VAL 26 ILE 27 ASP 28 ARG 29 LYS 30 LYS 31 ILE 32 SER 33 ALA 34 ASP 35 GLN 36 VAL 37 ASP 38 GLN 39 GLU 40 VAL 41 GLU 42 ARG 43 PHE 44 LEU 45 SER 46 GLY 47 ARG 48 ALA 49 LYS 50 ALA 51 SER 52 ALA 53 GLN 54 LEU 55 GLU 56 THR 57 ILE 58 LYS 59 THR 60 LYS 61 ALA 62 GLY 63 GLU 64 THR 65 PHE 66 GLY 67 GLU 68 GLU 69 LYS 70 GLU 71 ALA 72 ILE 73 PHE 74 GLU 75 GLY 76 HIS 77 ILE 78 MET 79 LEU 80 LEU 81 GLU 82 ASP 83 GLU 84 GLU 85 LEU 86 GLU 87 GLN 88 GLU 89 ILE 90 ILE 91 ALA 92 LEU 93 ILE 94 LYS 95 ASP 96 LYS 97 HIS 98 MET 99 THR 100 ALA 101 ASP 102 ALA 103 ALA 104 ALA 105 HIS 106 GLU 107 VAL 108 ILE 109 GLU 110 GLY 111 GLN 112 ALA 113 SER 114 ALA 115 LEU 116 GLU 117 GLU 118 LEU 119 ASP 120 ASP 121 GLU 122 TYR 123 LEU 124 LYS 125 GLU 126 ARG 127 ALA 128 ALA 129 ASP 130 VAL 131 ARG 132 ASP 133 ILE 134 GLY 135 LYS 136 ARG 137 LEU 138 LEU 139 ARG 140 ASN 141 ILE 142 LEU 143 GLY 144 LEU 145 LYS 146 ILE 147 ILE 148 ASP 149 LEU 150 SER 151 ALA 152 ILE 153 GLN 154 ASP 155 GLU 156 VAL 157 ILE 158 LEU 159 VAL 160 ALA 161 ALA 162 ASP 163 LEU 164 THR 165 PRO 166 SER 167 GLU 168 THR 169 ALA 170 GLN 171 LEU 172 ASN 173 LEU 174 LYS 175 LYS 176 VAL 177 LEU 178 GLY 179 PHE 180 ILE 181 THR 182 ASP 183 ALA 184 GLY 185 GLY 186 ARG 187 THR 188 SER 189 HIS 190 THR 191 SER 192 ILE 193 MET 194 ALA 195 ARG 196 SER 197 LEU 198 GLU 199 LEU 200 PRO 201 ALA 202 ILE 203 VAL 204 GLY 205 THR 206 GLY 207 SER 208 VAL 209 THR 210 SER 211 GLN 212 VAL 213 LYS 214 ASN 215 ASP 216 ASP 217 TYR 218 LEU 219 ILE 220 LEU 221 ASP 222 ALA 223 VAL 224 ASN 225 ASN 226 GLN 227 VAL 228 TYR 229 VAL 230 ASN 231 PRO 232 THR 233 ASN 234 GLU 235 VAL 236 ILE 237 ASP 238 LYS 239 MET 240 ARG 241 ALA 242 VAL 243 GLN 244 GLU 245 GLN 246 VAL 247 ALA 248 SER 249 GLU 250 LYS 251 ALA 252 GLU 253 LEU 254 ALA 255 LYS 256 LEU 257 LYS 258 ASP 259 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 BMRB 19958 N-terminal_Domain_of_Enzyme_I 100.00 259 100.00 100.00 0.00e+00 BMRB 25731 entity 99.61 573 100.00 100.00 6.45e-175 BMRB 4106 "N-terminal Domain of Enzyme I" 100.00 259 100.00 100.00 0.00e+00 BMRB 4264 "Enzyme I, N-terminal" 100.00 259 100.00 100.00 0.00e+00 PDB 1EZA "Amino Terminal Domain Of Enzyme I From Escherichia Coli Nmr, Restrained Regularized Mean Structure" 100.00 259 100.00 100.00 0.00e+00 PDB 1EZB "Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 17 Structures" 100.00 259 100.00 100.00 0.00e+00 PDB 1EZC "Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 17 Structures" 100.00 259 100.00 100.00 0.00e+00 PDB 1EZD "Amino Terminal Domain Of Enzyme I From Escherichia Coli Nmr, 16 Structures" 100.00 259 100.00 100.00 0.00e+00 PDB 1ZYM "Amino Terminal Domain Of Enzyme I From Escherichia Coli" 99.61 258 100.00 100.00 4.13e-180 PDB 2EZA "Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, Restrained Regularized Mean Structure" 100.00 259 100.00 100.00 0.00e+00 PDB 2EZB "Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 14 Structures" 100.00 259 100.00 100.00 0.00e+00 PDB 2EZC "Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 14 Structures" 100.00 259 100.00 100.00 0.00e+00 PDB 2HWG "Structure Of Phosphorylated Enzyme I Of The Phosphoenolpyruvate:sugar Phosphotransferase System" 99.23 575 98.05 98.05 9.40e-168 PDB 2KX9 "Solution Structure Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" 99.61 573 100.00 100.00 6.45e-175 PDB 2L5H "Solution Structure Of The H189q Mutant Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" 99.61 573 99.61 99.61 1.08e-173 PDB 2MP0 "Protein Phosphorylation Upon A Fleeting Encounter" 99.61 258 100.00 100.00 4.13e-180 PDB 2N5T "Ensemble Solution Structure Of The Phosphoenolpyruvate-enzyme I Complex From The Bacterial Hosphotransferase System" 99.61 575 100.00 100.00 7.04e-175 PDB 2XDF "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" 99.61 573 100.00 100.00 6.45e-175 PDB 3EZA "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 96.14 249 100.00 100.00 2.96e-174 PDB 3EZB "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli" 100.00 259 100.00 100.00 0.00e+00 PDB 3EZE "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 100.00 259 100.00 100.00 0.00e+00 DBJ BAA16290 "PEP-protein phosphotransferase of PTS system [Escherichia coli str. K12 substr. W3110]" 99.61 575 100.00 100.00 7.04e-175 DBJ BAB36711 "PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. Sakai]" 99.61 575 100.00 100.00 5.72e-175 DBJ BAG78231 "PTS system enzyme I [Escherichia coli SE11]" 99.61 575 100.00 100.00 5.72e-175 DBJ BAI26669 "PEP-protein phosphotransferase PtsI [Escherichia coli O26:H11 str. 11368]" 99.61 575 100.00 100.00 5.72e-175 DBJ BAI31701 "PEP-protein phosphotransferase PtsI [Escherichia coli O103:H2 str. 12009]" 99.61 575 100.00 100.00 5.72e-175 EMBL CAP76888 "Phosphoenolpyruvate-protein phosphotransferase [Escherichia coli LF82]" 99.61 575 100.00 100.00 5.72e-175 EMBL CAQ32794 "PTS enzyme I, subunit of EIIAsc, EIIBgl, EIIChb, CmtAB mannitol PTS permease, enzyme II [glc], fructose PTS transporter, EIIABC" 99.61 575 100.00 100.00 5.72e-175 EMBL CAQ88296 "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia fergusonii ATCC 35469]" 99.61 575 98.06 99.22 1.65e-171 EMBL CAQ99314 "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli IAI1]" 99.61 575 100.00 100.00 5.72e-175 EMBL CAR03878 "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli S88]" 99.61 575 100.00 100.00 5.25e-175 GB AAA24385 "enzyme I [Escherichia coli]" 99.61 575 100.00 100.00 7.04e-175 GB AAA24441 "enzyme I [Escherichia coli]" 99.61 575 100.00 100.00 7.04e-175 GB AAC75469 "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]" 99.61 575 100.00 100.00 7.04e-175 GB AAG57535 "PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. EDL933]" 99.61 575 100.00 100.00 5.72e-175 GB AAN43978 "PEP-protein phosphotransferase system enzyme I [Shigella flexneri 2a str. 301]" 99.61 575 100.00 100.00 5.72e-175 REF NP_311315 "phosphoenolpyruvate-protein phosphotransferase [Escherichia coli O157:H7 str. Sakai]" 99.61 575 100.00 100.00 5.72e-175 REF NP_416911 "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]" 99.61 575 100.00 100.00 7.04e-175 REF NP_708271 "phosphoenolpyruvate-protein phosphotransferase [Shigella flexneri 2a str. 301]" 99.61 575 100.00 100.00 5.72e-175 REF WP_000112669 "phosphoenolpyruvate--protein phosphotransferase, partial [Escherichia coli]" 85.71 539 100.00 100.00 2.00e-148 REF WP_000328837 "phosphoenolpyruvate--protein phosphotransferase, partial [Escherichia coli]" 52.90 454 100.00 100.00 2.57e-85 SP P08839 "RecName: Full=Phosphoenolpyruvate-protein phosphotransferase; AltName: Full=Phosphotransferase system, enzyme I" 99.61 575 100.00 100.00 7.04e-175 stop_ save_ save_HPr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HPr _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'Histidine containing phophocarrier protein' _Residue_count 85 _Mol_residue_sequence ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 GLN 4 GLN 5 GLU 6 VAL 7 THR 8 ILE 9 THR 10 ALA 11 PRO 12 ASN 13 GLY 14 LEU 15 HIS 16 THR 17 ARG 18 PRO 19 ALA 20 ALA 21 GLN 22 PHE 23 VAL 24 LYS 25 GLU 26 ALA 27 LYS 28 GLY 29 PHE 30 THR 31 SER 32 GLU 33 ILE 34 THR 35 VAL 36 THR 37 SER 38 ASN 39 GLY 40 LYS 41 SER 42 ALA 43 SER 44 ALA 45 LYS 46 SER 47 LEU 48 PHE 49 LYS 50 LEU 51 GLN 52 THR 53 LEU 54 GLY 55 LEU 56 THR 57 GLN 58 GLY 59 THR 60 VAL 61 VAL 62 THR 63 ILE 64 SER 65 ALA 66 GLU 67 GLY 68 GLU 69 ASP 70 GLU 71 GLN 72 LYS 73 ALA 74 VAL 75 GLU 76 HIS 77 LEU 78 VAL 79 LYS 80 LEU 81 MET 82 ALA 83 GLU 84 LEU 85 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 17274 HPr 100.00 85 97.65 97.65 1.81e-49 BMRB 18379 entity_2 100.00 85 100.00 100.00 5.05e-52 BMRB 2060 "phosphocarrier protein HPr" 100.00 85 100.00 100.00 5.05e-52 BMRB 2371 "phosphocarrier protein HPr" 100.00 85 100.00 100.00 5.05e-52 BMRB 29 "phosphocarrier protein HPr" 100.00 85 100.00 100.00 5.05e-52 BMRB 4264 HPr 100.00 85 100.00 100.00 5.05e-52 PDB 1CM2 "Structure Of His15asp Hpr After Hydrolysis Of Ringed Species." 100.00 85 98.82 98.82 9.25e-51 PDB 1CM3 "His15asp Hpr From E. Coli" 100.00 85 98.82 98.82 9.25e-51 PDB 1GGR "Complex Of Enzyme Iiaglc And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" 100.00 85 100.00 100.00 5.05e-52 PDB 1HDN "The High-Resolution Structure Of The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Determined By Restra" 100.00 85 100.00 100.00 5.05e-52 PDB 1J6T "Complex Of Enzyme Iiamtl And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" 100.00 85 100.00 100.00 5.05e-52 PDB 1OPD "Histidine-Containing Protein (Hpr), Mutant With Ser 46 Replaced By Asp (S46d)" 100.00 85 97.65 98.82 9.77e-51 PDB 1PFH "The Phosphorylated Form Of The Histidine-Containing Phosphocarrier Protein Hpr" 100.00 85 98.82 98.82 1.27e-50 PDB 1POH "The 2.0 Angstroms Resolution Structure Of Escherichia Coli Histidine-containing Phosphocarrier Protein Hpr: A Redetermination" 100.00 85 100.00 100.00 5.05e-52 PDB 1VRC "Complex Of Enzyme Iiamannose And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regu" 100.00 85 100.00 100.00 5.05e-52 PDB 2JEL "Jel42 FabHPR COMPLEX" 100.00 85 100.00 100.00 5.05e-52 PDB 2LRK "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" 100.00 85 100.00 100.00 5.05e-52 PDB 2LRL "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" 100.00 85 100.00 100.00 5.05e-52 PDB 2XDF "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" 100.00 85 100.00 100.00 5.05e-52 PDB 3CCD "1.0 A Structure Of Post-Succinimide His15asp Hpr" 100.00 85 97.65 98.82 3.77e-50 PDB 3EZA "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 100.00 85 100.00 100.00 5.05e-52 PDB 3EZB "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli" 100.00 85 100.00 100.00 5.05e-52 PDB 3EZE "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 100.00 85 100.00 100.00 5.05e-52 DBJ BAA16289 "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. W3110]" 100.00 85 100.00 100.00 5.05e-52 DBJ BAB36710 "PTS system protein HPr [Escherichia coli O157:H7 str. Sakai]" 100.00 85 100.00 100.00 5.05e-52 DBJ BAB92987 "HPr of PTS system [Serratia marcescens]" 100.00 85 98.82 100.00 1.29e-51 DBJ BAG78230 "phosphocarrier protein HPr [Escherichia coli SE11]" 100.00 85 100.00 100.00 5.05e-52 DBJ BAH64556 "PTS family phosphohistidinoprotein-hexose phosphotransferase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 85 98.82 100.00 1.47e-51 EMBL CAA32865 "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 85 100.00 100.00 5.05e-52 EMBL CAA35818 "unnamed protein product [Klebsiella pneumoniae]" 100.00 85 98.82 100.00 1.47e-51 EMBL CAD07663 "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 85 100.00 100.00 5.05e-52 EMBL CAG73805 "PTS system phosphocarrier protein [Pectobacterium atrosepticum SCRI1043]" 100.00 85 97.65 100.00 4.36e-51 EMBL CAH21953 "PTS system, phosphocarrier protein [Yersinia pseudotuberculosis IP 32953]" 100.00 85 97.65 100.00 6.74e-51 GB AAA23655 "ptsH protein [Escherichia coli]" 100.00 85 100.00 100.00 5.05e-52 GB AAA24384 "HPr protein (EC 2.7.1.68) [Escherichia coli]" 100.00 85 100.00 100.00 5.05e-52 GB AAA24438 "histidine-containing protein [Escherichia coli]" 100.00 85 100.00 100.00 5.05e-52 GB AAA24440 "HPr [Escherichia coli]" 100.00 85 100.00 100.00 5.05e-52 GB AAA27052 "ptsH protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 85 100.00 100.00 5.05e-52 PIR AE0810 "phosphocarrier protein HPr [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 85 100.00 100.00 5.05e-52 PRF 1107231B "protein,His containing" 100.00 85 100.00 100.00 5.05e-52 REF NP_288977 "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. EDL933]" 100.00 85 100.00 100.00 5.05e-52 REF NP_311314 "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. Sakai]" 100.00 85 100.00 100.00 5.05e-52 REF NP_416910 "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. MG1655]" 100.00 85 100.00 100.00 5.05e-52 REF NP_456968 "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 85 100.00 100.00 5.05e-52 REF NP_461366 "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Salmonella enterica subsp. enterica serovar Typhimurium str. " 100.00 85 100.00 100.00 5.05e-52 SP P0AA04 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli K-12]" 100.00 85 100.00 100.00 5.05e-52 SP P0AA05 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli CFT073]" 100.00 85 100.00 100.00 5.05e-52 SP P0AA06 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli O157:H7]" 100.00 85 100.00 100.00 5.05e-52 SP P0AA07 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" 100.00 85 100.00 100.00 5.05e-52 SP P0AA08 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" 100.00 85 100.00 100.00 5.05e-52 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 $HPr 'E. coli' 562 Bacteria . Escherichia coli GI698 $EIN 'E. coli' 562 Bacteria . Escherichia coli . 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 $EIN 'recombinant technology' . Escherichia coli GI698 pLP2 $HPr 'recombinant technology' . Escherichia coli . pRE2 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 _Isotopic_labeling $EIN 1 mM [U-15N] $HPr 1.6 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EIN 1 mM [U-15N] 'sodium phospahte' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CAPP _Saveframe_category software _Name CAPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_STAPP _Saveframe_category software _Name STAPP _Version . loop_ _Vendor _Address _Electronic_address '(Garrett et al., 1991)' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_FRODO _Saveframe_category software _Name FRODO _Version . loop_ _Vendor _Address _Electronic_address '(Jones, 1978)' . . stop_ loop_ _Task 'docking study' stop_ _Details . save_ save_GRASP _Saveframe_category software _Name GRASP _Version . loop_ _Vendor _Address _Electronic_address '(Nicholls et al., 1991)' . . stop_ loop_ _Task 'docking study' stop_ _Details . save_ save_RIBBONS _Saveframe_category software _Name RIBBONS _Version . loop_ _Vendor _Address _Electronic_address '(Carson, 1987)' . . stop_ loop_ _Task visualization stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 . pH pressure 1 . atm temperature 313 . K stop_ save_