data_1174 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site ; _BMRB_accession_number 1174 _BMRB_flat_file_name bmr1174.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Fairbrother Wayne J. . 2 Walker Philip A. . 3 Minard Phillipe . . 4 Littlechild Jennifer A. . 5 Watson Herman C. . 6 Williams Robert J.P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 3 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Fairbrother, Wayne J., Walker, Philip A., Minard, Phillipe, Littlechild, Jennifer A., Watson, Herman C., Williams, Robert J. P., "NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site," Eur. J. Biochem. 183, 57-67 (1989). ; _Citation_title ; NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fairbrother Wayne J. . 2 Walker Philip A. . 3 Minard Phillipe . . 4 Littlechild Jennifer A. . 5 Watson Herman C. . 6 Williams Robert J.P. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 183 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 57 _Page_last 67 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_phosphoglycerate_kinase _Saveframe_category molecular_system _Mol_system_name 'phosphoglycerate kinase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'phosphoglycerate kinase' $phosphoglycerate_kinase stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_phosphoglycerate_kinase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phosphoglycerate kinase' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 414 _Mol_residue_sequence ; SLSSKLSVQDSDLKDKRVFI RVDFNVPLDGKKITSQQRIV AALPTIKYVLEHHPRYVVLL SHLGRPNGERNEKYSLAPVA KELQSLLGKDVTFLNDCVSP EVEAAVKASAPGSVILLENL RYHIEEEGSRKVDGQKVKAS KEDVQKFRHELSSLADVYIN DAFGTAHRAHSSVGFDLPQR AAGFLLEKELKYFGKALENP TRPFLAILGGAKVADKIQLI DNLLDKVDSIIIGGGMAFTF KKVLENTEIGDSIFDKAGAE IVPKLMEKAKAKGVEVVLPV DFIIADAFSADANTKTVTDK EGIPAGWQGLDNGPESRKLF AATVAKAKTIVWNGPPGVTE FEKFAAGTKALLDEVVKSSA AGNTVIIGGGDTATVAKKYG VTDKISHVSTGGGASLELLE GKELPGVAFLSEKK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 SER 4 SER 5 LYS 6 LEU 7 SER 8 VAL 9 GLN 10 ASP 11 SER 12 ASP 13 LEU 14 LYS 15 ASP 16 LYS 17 ARG 18 VAL 19 PHE 20 ILE 21 ARG 22 VAL 23 ASP 24 PHE 25 ASN 26 VAL 27 PRO 28 LEU 29 ASP 30 GLY 31 LYS 32 LYS 33 ILE 34 THR 35 SER 36 GLN 37 GLN 38 ARG 39 ILE 40 VAL 41 ALA 42 ALA 43 LEU 44 PRO 45 THR 46 ILE 47 LYS 48 TYR 49 VAL 50 LEU 51 GLU 52 HIS 53 HIS 54 PRO 55 ARG 56 TYR 57 VAL 58 VAL 59 LEU 60 LEU 61 SER 62 HIS 63 LEU 64 GLY 65 ARG 66 PRO 67 ASN 68 GLY 69 GLU 70 ARG 71 ASN 72 GLU 73 LYS 74 TYR 75 SER 76 LEU 77 ALA 78 PRO 79 VAL 80 ALA 81 LYS 82 GLU 83 LEU 84 GLN 85 SER 86 LEU 87 LEU 88 GLY 89 LYS 90 ASP 91 VAL 92 THR 93 PHE 94 LEU 95 ASN 96 ASP 97 CYS 98 VAL 99 SER 100 PRO 101 GLU 102 VAL 103 GLU 104 ALA 105 ALA 106 VAL 107 LYS 108 ALA 109 SER 110 ALA 111 PRO 112 GLY 113 SER 114 VAL 115 ILE 116 LEU 117 LEU 118 GLU 119 ASN 120 LEU 121 ARG 122 TYR 123 HIS 124 ILE 125 GLU 126 GLU 127 GLU 128 GLY 129 SER 130 ARG 131 LYS 132 VAL 133 ASP 134 GLY 135 GLN 136 LYS 137 VAL 138 LYS 139 ALA 140 SER 141 LYS 142 GLU 143 ASP 144 VAL 145 GLN 146 LYS 147 PHE 148 ARG 149 HIS 150 GLU 151 LEU 152 SER 153 SER 154 LEU 155 ALA 156 ASP 157 VAL 158 TYR 159 ILE 160 ASN 161 ASP 162 ALA 163 PHE 164 GLY 165 THR 166 ALA 167 HIS 168 ARG 169 ALA 170 HIS 171 SER 172 SER 173 VAL 174 GLY 175 PHE 176 ASP 177 LEU 178 PRO 179 GLN 180 ARG 181 ALA 182 ALA 183 GLY 184 PHE 185 LEU 186 LEU 187 GLU 188 LYS 189 GLU 190 LEU 191 LYS 192 TYR 193 PHE 194 GLY 195 LYS 196 ALA 197 LEU 198 GLU 199 ASN 200 PRO 201 THR 202 ARG 203 PRO 204 PHE 205 LEU 206 ALA 207 ILE 208 LEU 209 GLY 210 GLY 211 ALA 212 LYS 213 VAL 214 ALA 215 ASP 216 LYS 217 ILE 218 GLN 219 LEU 220 ILE 221 ASP 222 ASN 223 LEU 224 LEU 225 ASP 226 LYS 227 VAL 228 ASP 229 SER 230 ILE 231 ILE 232 ILE 233 GLY 234 GLY 235 GLY 236 MET 237 ALA 238 PHE 239 THR 240 PHE 241 LYS 242 LYS 243 VAL 244 LEU 245 GLU 246 ASN 247 THR 248 GLU 249 ILE 250 GLY 251 ASP 252 SER 253 ILE 254 PHE 255 ASP 256 LYS 257 ALA 258 GLY 259 ALA 260 GLU 261 ILE 262 VAL 263 PRO 264 LYS 265 LEU 266 MET 267 GLU 268 LYS 269 ALA 270 LYS 271 ALA 272 LYS 273 GLY 274 VAL 275 GLU 276 VAL 277 VAL 278 LEU 279 PRO 280 VAL 281 ASP 282 PHE 283 ILE 284 ILE 285 ALA 286 ASP 287 ALA 288 PHE 289 SER 290 ALA 291 ASP 292 ALA 293 ASN 294 THR 295 LYS 296 THR 297 VAL 298 THR 299 ASP 300 LYS 301 GLU 302 GLY 303 ILE 304 PRO 305 ALA 306 GLY 307 TRP 308 GLN 309 GLY 310 LEU 311 ASP 312 ASN 313 GLY 314 PRO 315 GLU 316 SER 317 ARG 318 LYS 319 LEU 320 PHE 321 ALA 322 ALA 323 THR 324 VAL 325 ALA 326 LYS 327 ALA 328 LYS 329 THR 330 ILE 331 VAL 332 TRP 333 ASN 334 GLY 335 PRO 336 PRO 337 GLY 338 VAL 339 THR 340 GLU 341 PHE 342 GLU 343 LYS 344 PHE 345 ALA 346 ALA 347 GLY 348 THR 349 LYS 350 ALA 351 LEU 352 LEU 353 ASP 354 GLU 355 VAL 356 VAL 357 LYS 358 SER 359 SER 360 ALA 361 ALA 362 GLY 363 ASN 364 THR 365 VAL 366 ILE 367 ILE 368 GLY 369 GLY 370 GLY 371 ASP 372 THR 373 ALA 374 THR 375 VAL 376 ALA 377 LYS 378 LYS 379 TYR 380 GLY 381 VAL 382 THR 383 ASP 384 LYS 385 ILE 386 SER 387 HIS 388 VAL 389 SER 390 THR 391 GLY 392 GLY 393 GLY 394 ALA 395 SER 396 LEU 397 GLU 398 LEU 399 LEU 400 GLU 401 GLY 402 LYS 403 GLU 404 LEU 405 PRO 406 GLY 407 VAL 408 ALA 409 PHE 410 LEU 411 SER 412 GLU 413 LYS 414 LYS 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 BMRB 1843 "phosphoglycerate kinase" 100.00 414 100.00 100.00 0.00e+00 BMRB 191 "phosphoglycerate kinase" 100.24 415 99.76 99.76 0.00e+00 PDB 1QPG "3-Phosphoglycerate Kinase, Mutation R65q" 100.24 415 98.31 98.55 0.00e+00 DBJ GAA21922 "K7_Pgk1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.24 416 98.55 98.55 0.00e+00 EMBL CAA42329 "phosphoglycerate kinase [Saccharomyces cerevisiae]" 100.24 416 98.55 98.55 0.00e+00 EMBL CAY78215 "Pgk1p [Saccharomyces cerevisiae EC1118]" 100.24 416 98.55 98.55 0.00e+00 GB AAA88729 "3-phosphoglycerate kinase [Saccharomyces cerevisiae]" 100.24 416 98.55 98.55 0.00e+00 GB AGZ13684 "phosphoglycerate kinase [Saccharomyces sp. 'boulardii']" 100.24 416 98.55 98.55 0.00e+00 GB AHN96068 "PGK1 [synthetic construct]" 100.24 416 98.55 98.55 0.00e+00 GB AHV79271 "PGK1 [synthetic construct]" 100.24 416 98.55 98.55 0.00e+00 GB AHY79691 "Pgk1p [Saccharomyces cerevisiae YJM993]" 100.24 416 98.55 98.55 0.00e+00 REF NP_009938 "phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" 100.24 416 98.55 98.55 0.00e+00 SP P00560 "RecName: Full=Phosphoglycerate kinase" 100.24 416 98.55 98.55 0.00e+00 TPG DAA07490 "TPA: phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" 100.24 416 98.55 98.55 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $phosphoglycerate_kinase yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $phosphoglycerate_kinase 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 . na temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference is not available at this time.' save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'phosphoglycerate kinase' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 62 HIS HE1 H 7.94 . 1 2 . 167 HIS HE1 H 7.77 . 1 3 . 170 HIS HE1 H 7.6 . 1 stop_ save_