data_1177 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1177 _Entry.Title ; NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Wayne Fairbrother . J. . 1177 2 Philip Walker . A. . 1177 3 Phillipe Minard . . . 1177 4 Jennifer Littlechild . A. . 1177 5 Herman Watson . C. . 1177 6 Robert Williams . J.P. . 1177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 3 1177 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 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1177 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1177 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1177 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1177 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; 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 _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 183 _Citation.Journal_issue . _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 57 _Citation.Page_last 67 _Citation.Year 1989 _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 Wayne Fairbrother . J. . 1177 1 2 Philip Walker . A. . 1177 1 3 Phillipe Minard . . . 1177 1 4 Jennifer Littlechild . A. . 1177 1 5 Herman Watson . C. . 1177 1 6 Robert Williams . J.P. . 1177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphoglycerate_kinase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphoglycerate_kinase _Assembly.Entry_ID 1177 _Assembly.ID 1 _Assembly.Name 'phosphoglycerate kinase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'phosphoglycerate kinase' 1 $phosphoglycerate_kinase . . . . . . . . . 1177 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phosphoglycerate kinase' system 1177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphoglycerate_kinase _Entity.Sf_category entity _Entity.Sf_framecode phosphoglycerate_kinase _Entity.Entry_ID 1177 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phosphoglycerate kinase' _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 ; XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXRXX XXXXXXXXXXXXXXXXXXXX XHXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXHXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXHMXHXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXHXXTGGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 394 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.2.3 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2005-11-24 _Entity.DB_query_revised_last_date 2005-11-22 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 . . BMRB 1846 . 'phosphoglycerate kinase' . . . . . 100.00 11 100 100 3.5 . . . . 1177 1 . . BMRB 1846 . 'phosphoglycerate kinase' . . . . . 100.00 11 100 100 3.5 . . . . 1177 1 . . BMRB 1177 . 'phosphoglycerate kinase' . . . . . 100.00 11 100 100 3.5 . . . . 1177 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phosphoglycerate kinase' common 1177 1 R168M variant 1177 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 . X . 1177 1 2 . X . 1177 1 3 . X . 1177 1 4 . X . 1177 1 5 . X . 1177 1 6 . X . 1177 1 7 . X . 1177 1 8 . X . 1177 1 9 . X . 1177 1 10 . X . 1177 1 11 . X . 1177 1 12 . X . 1177 1 13 . X . 1177 1 14 . X . 1177 1 15 . X . 1177 1 16 . X . 1177 1 17 . X . 1177 1 18 . X . 1177 1 19 . X . 1177 1 20 . X . 1177 1 21 . X . 1177 1 22 . X . 1177 1 23 . X . 1177 1 24 . X . 1177 1 25 . X . 1177 1 26 . X . 1177 1 27 . X . 1177 1 28 . X . 1177 1 29 . X . 1177 1 30 . X . 1177 1 31 . X . 1177 1 32 . X . 1177 1 33 . X . 1177 1 34 . X . 1177 1 35 . X . 1177 1 36 . X . 1177 1 37 . X . 1177 1 38 . ARG . 1177 1 39 . X . 1177 1 40 . X . 1177 1 41 . X . 1177 1 42 . X . 1177 1 43 . X . 1177 1 44 . X . 1177 1 45 . X . 1177 1 46 . X . 1177 1 47 . X . 1177 1 48 . X . 1177 1 49 . X . 1177 1 50 . X . 1177 1 51 . X . 1177 1 52 . X . 1177 1 53 . X . 1177 1 54 . X . 1177 1 55 . X . 1177 1 56 . X . 1177 1 57 . X . 1177 1 58 . X . 1177 1 59 . X . 1177 1 60 . X . 1177 1 61 . X . 1177 1 62 . HIS . 1177 1 63 . X . 1177 1 64 . X . 1177 1 65 . X . 1177 1 66 . X . 1177 1 67 . X . 1177 1 68 . X . 1177 1 69 . X . 1177 1 70 . X . 1177 1 71 . X . 1177 1 72 . X . 1177 1 73 . X . 1177 1 74 . X . 1177 1 75 . X . 1177 1 76 . X . 1177 1 77 . X . 1177 1 78 . X . 1177 1 79 . X . 1177 1 80 . X . 1177 1 81 . X . 1177 1 82 . X . 1177 1 83 . X . 1177 1 84 . X . 1177 1 85 . X . 1177 1 86 . X . 1177 1 87 . X . 1177 1 88 . X . 1177 1 89 . X . 1177 1 90 . X . 1177 1 91 . X . 1177 1 92 . X . 1177 1 93 . X . 1177 1 94 . X . 1177 1 95 . X . 1177 1 96 . X . 1177 1 97 . X . 1177 1 98 . X . 1177 1 99 . X . 1177 1 100 . X . 1177 1 101 . X . 1177 1 102 . X . 1177 1 103 . X . 1177 1 104 . X . 1177 1 105 . X . 1177 1 106 . X . 1177 1 107 . X . 1177 1 108 . X . 1177 1 109 . X . 1177 1 110 . X . 1177 1 111 . X . 1177 1 112 . X . 1177 1 113 . X . 1177 1 114 . X . 1177 1 115 . X . 1177 1 116 . X . 1177 1 117 . X . 1177 1 118 . X . 1177 1 119 . X . 1177 1 120 . X . 1177 1 121 . X . 1177 1 122 . X . 1177 1 123 . HIS . 1177 1 124 . X . 1177 1 125 . X . 1177 1 126 . X . 1177 1 127 . X . 1177 1 128 . X . 1177 1 129 . X . 1177 1 130 . X . 1177 1 131 . X . 1177 1 132 . X . 1177 1 133 . X . 1177 1 134 . X . 1177 1 135 . X . 1177 1 136 . X . 1177 1 137 . X . 1177 1 138 . X . 1177 1 139 . X . 1177 1 140 . X . 1177 1 141 . X . 1177 1 142 . X . 1177 1 143 . X . 1177 1 144 . X . 1177 1 145 . X . 1177 1 146 . X . 1177 1 147 . X . 1177 1 148 . X . 1177 1 149 . X . 1177 1 150 . X . 1177 1 151 . X . 1177 1 152 . X . 1177 1 153 . X . 1177 1 154 . X . 1177 1 155 . X . 1177 1 156 . X . 1177 1 157 . X . 1177 1 158 . X . 1177 1 159 . X . 1177 1 160 . X . 1177 1 161 . X . 1177 1 162 . X . 1177 1 163 . X . 1177 1 164 . X . 1177 1 165 . X . 1177 1 166 . X . 1177 1 167 . HIS . 1177 1 168 . MET . 1177 1 169 . X . 1177 1 170 . HIS . 1177 1 171 . X . 1177 1 172 . X . 1177 1 173 . X . 1177 1 174 . X . 1177 1 175 . X . 1177 1 176 . X . 1177 1 177 . X . 1177 1 178 . X . 1177 1 179 . X . 1177 1 180 . X . 1177 1 181 . X . 1177 1 182 . X . 1177 1 183 . X . 1177 1 184 . X . 1177 1 185 . X . 1177 1 186 . X . 1177 1 187 . X . 1177 1 188 . X . 1177 1 189 . X . 1177 1 190 . X . 1177 1 191 . X . 1177 1 192 . X . 1177 1 193 . X . 1177 1 194 . X . 1177 1 195 . X . 1177 1 196 . X . 1177 1 197 . X . 1177 1 198 . X . 1177 1 199 . X . 1177 1 200 . X . 1177 1 201 . X . 1177 1 202 . X . 1177 1 203 . X . 1177 1 204 . X . 1177 1 205 . X . 1177 1 206 . X . 1177 1 207 . X . 1177 1 208 . X . 1177 1 209 . X . 1177 1 210 . X . 1177 1 211 . X . 1177 1 212 . X . 1177 1 213 . X . 1177 1 214 . X . 1177 1 215 . X . 1177 1 216 . X . 1177 1 217 . X . 1177 1 218 . X . 1177 1 219 . X . 1177 1 220 . X . 1177 1 221 . X . 1177 1 222 . X . 1177 1 223 . X . 1177 1 224 . X . 1177 1 225 . X . 1177 1 226 . X . 1177 1 227 . X . 1177 1 228 . X . 1177 1 229 . X . 1177 1 230 . X . 1177 1 231 . X . 1177 1 232 . X . 1177 1 233 . X . 1177 1 234 . X . 1177 1 235 . X . 1177 1 236 . X . 1177 1 237 . X . 1177 1 238 . X . 1177 1 239 . X . 1177 1 240 . X . 1177 1 241 . X . 1177 1 242 . X . 1177 1 243 . X . 1177 1 244 . X . 1177 1 245 . X . 1177 1 246 . X . 1177 1 247 . X . 1177 1 248 . X . 1177 1 249 . X . 1177 1 250 . X . 1177 1 251 . X . 1177 1 252 . X . 1177 1 253 . X . 1177 1 254 . X . 1177 1 255 . X . 1177 1 256 . X . 1177 1 257 . X . 1177 1 258 . X . 1177 1 259 . X . 1177 1 260 . X . 1177 1 261 . X . 1177 1 262 . X . 1177 1 263 . X . 1177 1 264 . X . 1177 1 265 . X . 1177 1 266 . X . 1177 1 267 . X . 1177 1 268 . X . 1177 1 269 . X . 1177 1 270 . X . 1177 1 271 . X . 1177 1 272 . X . 1177 1 273 . X . 1177 1 274 . X . 1177 1 275 . X . 1177 1 276 . X . 1177 1 277 . X . 1177 1 278 . X . 1177 1 279 . X . 1177 1 280 . X . 1177 1 281 . X . 1177 1 282 . X . 1177 1 283 . X . 1177 1 284 . X . 1177 1 285 . X . 1177 1 286 . X . 1177 1 287 . X . 1177 1 288 . X . 1177 1 289 . X . 1177 1 290 . X . 1177 1 291 . X . 1177 1 292 . X . 1177 1 293 . X . 1177 1 294 . X . 1177 1 295 . X . 1177 1 296 . X . 1177 1 297 . X . 1177 1 298 . X . 1177 1 299 . X . 1177 1 300 . X . 1177 1 301 . X . 1177 1 302 . X . 1177 1 303 . X . 1177 1 304 . X . 1177 1 305 . X . 1177 1 306 . X . 1177 1 307 . X . 1177 1 308 . X . 1177 1 309 . X . 1177 1 310 . X . 1177 1 311 . X . 1177 1 312 . X . 1177 1 313 . X . 1177 1 314 . X . 1177 1 315 . X . 1177 1 316 . X . 1177 1 317 . X . 1177 1 318 . X . 1177 1 319 . X . 1177 1 320 . X . 1177 1 321 . X . 1177 1 322 . X . 1177 1 323 . X . 1177 1 324 . X . 1177 1 325 . X . 1177 1 326 . X . 1177 1 327 . X . 1177 1 328 . X . 1177 1 329 . X . 1177 1 330 . X . 1177 1 331 . X . 1177 1 332 . X . 1177 1 333 . X . 1177 1 334 . X . 1177 1 335 . X . 1177 1 336 . X . 1177 1 337 . X . 1177 1 338 . X . 1177 1 339 . X . 1177 1 340 . X . 1177 1 341 . X . 1177 1 342 . X . 1177 1 343 . X . 1177 1 344 . X . 1177 1 345 . X . 1177 1 346 . X . 1177 1 347 . X . 1177 1 348 . X . 1177 1 349 . X . 1177 1 350 . X . 1177 1 351 . X . 1177 1 352 . X . 1177 1 353 . X . 1177 1 354 . X . 1177 1 355 . X . 1177 1 356 . X . 1177 1 357 . X . 1177 1 358 . X . 1177 1 359 . X . 1177 1 360 . X . 1177 1 361 . X . 1177 1 362 . X . 1177 1 363 . X . 1177 1 364 . X . 1177 1 365 . X . 1177 1 366 . X . 1177 1 367 . X . 1177 1 368 . X . 1177 1 369 . X . 1177 1 370 . X . 1177 1 371 . X . 1177 1 372 . X . 1177 1 373 . X . 1177 1 374 . X . 1177 1 375 . X . 1177 1 376 . X . 1177 1 377 . X . 1177 1 378 . X . 1177 1 379 . X . 1177 1 380 . X . 1177 1 381 . X . 1177 1 382 . X . 1177 1 383 . X . 1177 1 384 . X . 1177 1 385 . X . 1177 1 386 . X . 1177 1 387 . X . 1177 1 388 . HIS . 1177 1 389 . X . 1177 1 390 . X . 1177 1 391 . THR . 1177 1 392 . GLY . 1177 1 393 . GLY . 1177 1 394 . GLY . 1177 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 . X 1 1 1177 1 . X 2 2 1177 1 . X 3 3 1177 1 . X 4 4 1177 1 . X 5 5 1177 1 . X 6 6 1177 1 . X 7 7 1177 1 . X 8 8 1177 1 . X 9 9 1177 1 . X 10 10 1177 1 . X 11 11 1177 1 . X 12 12 1177 1 . X 13 13 1177 1 . X 14 14 1177 1 . X 15 15 1177 1 . X 16 16 1177 1 . X 17 17 1177 1 . X 18 18 1177 1 . X 19 19 1177 1 . X 20 20 1177 1 . X 21 21 1177 1 . X 22 22 1177 1 . X 23 23 1177 1 . X 24 24 1177 1 . X 25 25 1177 1 . X 26 26 1177 1 . X 27 27 1177 1 . X 28 28 1177 1 . X 29 29 1177 1 . X 30 30 1177 1 . X 31 31 1177 1 . X 32 32 1177 1 . X 33 33 1177 1 . X 34 34 1177 1 . X 35 35 1177 1 . X 36 36 1177 1 . X 37 37 1177 1 . ARG 38 38 1177 1 . X 39 39 1177 1 . X 40 40 1177 1 . X 41 41 1177 1 . X 42 42 1177 1 . X 43 43 1177 1 . X 44 44 1177 1 . X 45 45 1177 1 . X 46 46 1177 1 . X 47 47 1177 1 . X 48 48 1177 1 . X 49 49 1177 1 . X 50 50 1177 1 . X 51 51 1177 1 . X 52 52 1177 1 . X 53 53 1177 1 . X 54 54 1177 1 . X 55 55 1177 1 . X 56 56 1177 1 . X 57 57 1177 1 . X 58 58 1177 1 . X 59 59 1177 1 . X 60 60 1177 1 . X 61 61 1177 1 . HIS 62 62 1177 1 . X 63 63 1177 1 . X 64 64 1177 1 . X 65 65 1177 1 . X 66 66 1177 1 . X 67 67 1177 1 . X 68 68 1177 1 . X 69 69 1177 1 . X 70 70 1177 1 . X 71 71 1177 1 . X 72 72 1177 1 . X 73 73 1177 1 . X 74 74 1177 1 . X 75 75 1177 1 . X 76 76 1177 1 . X 77 77 1177 1 . X 78 78 1177 1 . X 79 79 1177 1 . X 80 80 1177 1 . X 81 81 1177 1 . X 82 82 1177 1 . X 83 83 1177 1 . X 84 84 1177 1 . X 85 85 1177 1 . X 86 86 1177 1 . X 87 87 1177 1 . X 88 88 1177 1 . X 89 89 1177 1 . X 90 90 1177 1 . X 91 91 1177 1 . X 92 92 1177 1 . X 93 93 1177 1 . X 94 94 1177 1 . X 95 95 1177 1 . X 96 96 1177 1 . X 97 97 1177 1 . X 98 98 1177 1 . X 99 99 1177 1 . X 100 100 1177 1 . X 101 101 1177 1 . X 102 102 1177 1 . X 103 103 1177 1 . X 104 104 1177 1 . X 105 105 1177 1 . X 106 106 1177 1 . X 107 107 1177 1 . X 108 108 1177 1 . X 109 109 1177 1 . X 110 110 1177 1 . X 111 111 1177 1 . X 112 112 1177 1 . X 113 113 1177 1 . X 114 114 1177 1 . X 115 115 1177 1 . X 116 116 1177 1 . X 117 117 1177 1 . X 118 118 1177 1 . X 119 119 1177 1 . X 120 120 1177 1 . X 121 121 1177 1 . X 122 122 1177 1 . HIS 123 123 1177 1 . X 124 124 1177 1 . X 125 125 1177 1 . X 126 126 1177 1 . X 127 127 1177 1 . X 128 128 1177 1 . X 129 129 1177 1 . X 130 130 1177 1 . X 131 131 1177 1 . X 132 132 1177 1 . X 133 133 1177 1 . X 134 134 1177 1 . X 135 135 1177 1 . X 136 136 1177 1 . X 137 137 1177 1 . X 138 138 1177 1 . X 139 139 1177 1 . X 140 140 1177 1 . X 141 141 1177 1 . X 142 142 1177 1 . X 143 143 1177 1 . X 144 144 1177 1 . X 145 145 1177 1 . X 146 146 1177 1 . X 147 147 1177 1 . X 148 148 1177 1 . X 149 149 1177 1 . X 150 150 1177 1 . X 151 151 1177 1 . X 152 152 1177 1 . X 153 153 1177 1 . X 154 154 1177 1 . X 155 155 1177 1 . X 156 156 1177 1 . X 157 157 1177 1 . X 158 158 1177 1 . X 159 159 1177 1 . X 160 160 1177 1 . X 161 161 1177 1 . X 162 162 1177 1 . X 163 163 1177 1 . X 164 164 1177 1 . X 165 165 1177 1 . X 166 166 1177 1 . HIS 167 167 1177 1 . MET 168 168 1177 1 . X 169 169 1177 1 . HIS 170 170 1177 1 . X 171 171 1177 1 . X 172 172 1177 1 . X 173 173 1177 1 . X 174 174 1177 1 . X 175 175 1177 1 . X 176 176 1177 1 . X 177 177 1177 1 . X 178 178 1177 1 . X 179 179 1177 1 . X 180 180 1177 1 . X 181 181 1177 1 . X 182 182 1177 1 . X 183 183 1177 1 . X 184 184 1177 1 . X 185 185 1177 1 . X 186 186 1177 1 . X 187 187 1177 1 . X 188 188 1177 1 . X 189 189 1177 1 . X 190 190 1177 1 . X 191 191 1177 1 . X 192 192 1177 1 . X 193 193 1177 1 . X 194 194 1177 1 . X 195 195 1177 1 . X 196 196 1177 1 . X 197 197 1177 1 . X 198 198 1177 1 . X 199 199 1177 1 . X 200 200 1177 1 . X 201 201 1177 1 . X 202 202 1177 1 . X 203 203 1177 1 . X 204 204 1177 1 . X 205 205 1177 1 . X 206 206 1177 1 . X 207 207 1177 1 . X 208 208 1177 1 . X 209 209 1177 1 . X 210 210 1177 1 . X 211 211 1177 1 . X 212 212 1177 1 . X 213 213 1177 1 . X 214 214 1177 1 . X 215 215 1177 1 . X 216 216 1177 1 . X 217 217 1177 1 . X 218 218 1177 1 . X 219 219 1177 1 . X 220 220 1177 1 . X 221 221 1177 1 . X 222 222 1177 1 . X 223 223 1177 1 . X 224 224 1177 1 . X 225 225 1177 1 . X 226 226 1177 1 . X 227 227 1177 1 . X 228 228 1177 1 . X 229 229 1177 1 . X 230 230 1177 1 . X 231 231 1177 1 . X 232 232 1177 1 . X 233 233 1177 1 . X 234 234 1177 1 . X 235 235 1177 1 . X 236 236 1177 1 . X 237 237 1177 1 . X 238 238 1177 1 . X 239 239 1177 1 . X 240 240 1177 1 . X 241 241 1177 1 . X 242 242 1177 1 . X 243 243 1177 1 . X 244 244 1177 1 . X 245 245 1177 1 . X 246 246 1177 1 . X 247 247 1177 1 . X 248 248 1177 1 . X 249 249 1177 1 . X 250 250 1177 1 . X 251 251 1177 1 . X 252 252 1177 1 . X 253 253 1177 1 . X 254 254 1177 1 . X 255 255 1177 1 . X 256 256 1177 1 . X 257 257 1177 1 . X 258 258 1177 1 . X 259 259 1177 1 . X 260 260 1177 1 . X 261 261 1177 1 . X 262 262 1177 1 . X 263 263 1177 1 . X 264 264 1177 1 . X 265 265 1177 1 . X 266 266 1177 1 . X 267 267 1177 1 . X 268 268 1177 1 . X 269 269 1177 1 . X 270 270 1177 1 . X 271 271 1177 1 . X 272 272 1177 1 . X 273 273 1177 1 . X 274 274 1177 1 . X 275 275 1177 1 . X 276 276 1177 1 . X 277 277 1177 1 . X 278 278 1177 1 . X 279 279 1177 1 . X 280 280 1177 1 . X 281 281 1177 1 . X 282 282 1177 1 . X 283 283 1177 1 . X 284 284 1177 1 . X 285 285 1177 1 . X 286 286 1177 1 . X 287 287 1177 1 . X 288 288 1177 1 . X 289 289 1177 1 . X 290 290 1177 1 . X 291 291 1177 1 . X 292 292 1177 1 . X 293 293 1177 1 . X 294 294 1177 1 . X 295 295 1177 1 . X 296 296 1177 1 . X 297 297 1177 1 . X 298 298 1177 1 . X 299 299 1177 1 . X 300 300 1177 1 . X 301 301 1177 1 . X 302 302 1177 1 . X 303 303 1177 1 . X 304 304 1177 1 . X 305 305 1177 1 . X 306 306 1177 1 . X 307 307 1177 1 . X 308 308 1177 1 . X 309 309 1177 1 . X 310 310 1177 1 . X 311 311 1177 1 . X 312 312 1177 1 . X 313 313 1177 1 . X 314 314 1177 1 . X 315 315 1177 1 . X 316 316 1177 1 . X 317 317 1177 1 . X 318 318 1177 1 . X 319 319 1177 1 . X 320 320 1177 1 . X 321 321 1177 1 . X 322 322 1177 1 . X 323 323 1177 1 . X 324 324 1177 1 . X 325 325 1177 1 . X 326 326 1177 1 . X 327 327 1177 1 . X 328 328 1177 1 . X 329 329 1177 1 . X 330 330 1177 1 . X 331 331 1177 1 . X 332 332 1177 1 . X 333 333 1177 1 . X 334 334 1177 1 . X 335 335 1177 1 . X 336 336 1177 1 . X 337 337 1177 1 . X 338 338 1177 1 . X 339 339 1177 1 . X 340 340 1177 1 . X 341 341 1177 1 . X 342 342 1177 1 . X 343 343 1177 1 . X 344 344 1177 1 . X 345 345 1177 1 . X 346 346 1177 1 . X 347 347 1177 1 . X 348 348 1177 1 . X 349 349 1177 1 . X 350 350 1177 1 . X 351 351 1177 1 . X 352 352 1177 1 . X 353 353 1177 1 . X 354 354 1177 1 . X 355 355 1177 1 . X 356 356 1177 1 . X 357 357 1177 1 . X 358 358 1177 1 . X 359 359 1177 1 . X 360 360 1177 1 . X 361 361 1177 1 . X 362 362 1177 1 . X 363 363 1177 1 . X 364 364 1177 1 . X 365 365 1177 1 . X 366 366 1177 1 . X 367 367 1177 1 . X 368 368 1177 1 . X 369 369 1177 1 . X 370 370 1177 1 . X 371 371 1177 1 . X 372 372 1177 1 . X 373 373 1177 1 . X 374 374 1177 1 . X 375 375 1177 1 . X 376 376 1177 1 . X 377 377 1177 1 . X 378 378 1177 1 . X 379 379 1177 1 . X 380 380 1177 1 . X 381 381 1177 1 . X 382 382 1177 1 . X 383 383 1177 1 . X 384 384 1177 1 . X 385 385 1177 1 . X 386 386 1177 1 . X 387 387 1177 1 . HIS 388 388 1177 1 . X 389 389 1177 1 . X 390 390 1177 1 . THR 391 391 1177 1 . GLY 392 392 1177 1 . GLY 393 393 1177 1 . GLY 394 394 1177 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 1177 _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 $phosphoglycerate_kinase . . . . 'Saccharomyces cerevisiae' yeast . . . . Saccharomyces cerevisiae generic . . . . . . . . . . . . . . . . . . . . 1177 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 1177 _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 $phosphoglycerate_kinase . 'not available' 'Saccharomyces cerevisiae' yeast . . Saccharomyces cerevisiae MD40/4C . . . . . . . . . . . . . . . . . . . . . . 1177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1177 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1177 _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 7.1 . na 1177 1 temperature 300 . K 1177 1 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 1177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1177 _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 unknown unknown . 0 . . . 1177 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 1177 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' 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 unknown no . . . . . . . . . . 1 $sample_one isotropic . . 1 $sample_condition_set_one . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 1177 1 stop_ save_ save_NMR_spec_expt_dummy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt_dummy _NMR_spec_expt.Entry_ID 1177 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $specrtometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1177 _Chem_shift_reference.ID 1 _Chem_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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 unknown 1 $sample_one . 1177 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 62 62 HIS HE1 H 1 7.94 . . 1 . . . . . . . . 1177 1 2 . 1 1 167 167 HIS HE1 H 1 7.86 . . 1 . . . . . . . . 1177 1 3 . 1 1 170 170 HIS HE1 H 1 7.67 . . 1 . . . . . . . . 1177 1 stop_ save_