data_17115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Effects of Domain Dissection on the Folding and Stability of the 43 kDa Protein PGK Probed by NMR ; _BMRB_accession_number 17115 _BMRB_flat_file_name bmr17115.str _Entry_type original _Submission_date 2010-08-11 _Accession_date 2010-08-11 _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 Reed Michelle A.C. . 2 Hounslow Andrea M. . 3 Sze K. H. . 4 Barsukov Igor G. . 5 Hosszu Laszlo L.P. . 6 Clarke Anthony R. . 7 Craven C. J. . 8 Waltho Jonathan P. . 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 'Effects of Domain Dissection on the Folding and Stability of the 43 kDa Protein PGK Probed by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12860138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reed Michelle A.C. . 2 Hounslow Andrea M. . 3 Sze K. H. . 4 Barsukov Igor G. . 5 Hosszu Laszlo L.P. . 6 Clarke Anthony R. . 7 Craven C. J. . 8 Waltho Jonathan P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 330 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1189 _Page_last 1201 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PGK amide exchange' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PGK $PGK 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_PGK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PGK _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 394 _Mol_residue_sequence ; MNKKTIRDVDVRGKRVFCRV DFNVPMEQGAITDDTRIRAA LPTIRYLIEHGAKVILASHL GRPKGKVVEELRLDAVAKRL GELLERPVAKTNEAVGDEVK AAVDRLNEGDVLLLENVRFY PGEEKNDPELAKAFAELADL YVNDAFGAAHRAHASTEGIA HYLPAVAGFLMEKELEVLGK ALSNPDRPFTAIIGGAKVKD KIGVIDNLLEKVDNLIIGGG LAYTFVKALGHDVGKSLLEE DKIELAKSFMEKAKEKGVRF YMPVDVVVADRFANDANTKV VPIDAIPADYSALDIGPKTR ELYRDVIRESKLVVWNGPMG VFEMDAFAHGTKAIAEALAE ALDTYSVIGGGDSAAAVEKF GLADKMDHISTGGGASLEFM EGKQLPGVVALEDK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 LYS 5 THR 6 ILE 7 ARG 8 ASP 9 VAL 10 ASP 11 VAL 12 ARG 13 GLY 14 LYS 15 ARG 16 VAL 17 PHE 18 CYS 19 ARG 20 VAL 21 ASP 22 PHE 23 ASN 24 VAL 25 PRO 26 MET 27 GLU 28 GLN 29 GLY 30 ALA 31 ILE 32 THR 33 ASP 34 ASP 35 THR 36 ARG 37 ILE 38 ARG 39 ALA 40 ALA 41 LEU 42 PRO 43 THR 44 ILE 45 ARG 46 TYR 47 LEU 48 ILE 49 GLU 50 HIS 51 GLY 52 ALA 53 LYS 54 VAL 55 ILE 56 LEU 57 ALA 58 SER 59 HIS 60 LEU 61 GLY 62 ARG 63 PRO 64 LYS 65 GLY 66 LYS 67 VAL 68 VAL 69 GLU 70 GLU 71 LEU 72 ARG 73 LEU 74 ASP 75 ALA 76 VAL 77 ALA 78 LYS 79 ARG 80 LEU 81 GLY 82 GLU 83 LEU 84 LEU 85 GLU 86 ARG 87 PRO 88 VAL 89 ALA 90 LYS 91 THR 92 ASN 93 GLU 94 ALA 95 VAL 96 GLY 97 ASP 98 GLU 99 VAL 100 LYS 101 ALA 102 ALA 103 VAL 104 ASP 105 ARG 106 LEU 107 ASN 108 GLU 109 GLY 110 ASP 111 VAL 112 LEU 113 LEU 114 LEU 115 GLU 116 ASN 117 VAL 118 ARG 119 PHE 120 TYR 121 PRO 122 GLY 123 GLU 124 GLU 125 LYS 126 ASN 127 ASP 128 PRO 129 GLU 130 LEU 131 ALA 132 LYS 133 ALA 134 PHE 135 ALA 136 GLU 137 LEU 138 ALA 139 ASP 140 LEU 141 TYR 142 VAL 143 ASN 144 ASP 145 ALA 146 PHE 147 GLY 148 ALA 149 ALA 150 HIS 151 ARG 152 ALA 153 HIS 154 ALA 155 SER 156 THR 157 GLU 158 GLY 159 ILE 160 ALA 161 HIS 162 TYR 163 LEU 164 PRO 165 ALA 166 VAL 167 ALA 168 GLY 169 PHE 170 LEU 171 MET 172 GLU 173 LYS 174 GLU 175 LEU 176 GLU 177 VAL 178 LEU 179 GLY 180 LYS 181 ALA 182 LEU 183 SER 184 ASN 185 PRO 186 ASP 187 ARG 188 PRO 189 PHE 190 THR 191 ALA 192 ILE 193 ILE 194 GLY 195 GLY 196 ALA 197 LYS 198 VAL 199 LYS 200 ASP 201 LYS 202 ILE 203 GLY 204 VAL 205 ILE 206 ASP 207 ASN 208 LEU 209 LEU 210 GLU 211 LYS 212 VAL 213 ASP 214 ASN 215 LEU 216 ILE 217 ILE 218 GLY 219 GLY 220 GLY 221 LEU 222 ALA 223 TYR 224 THR 225 PHE 226 VAL 227 LYS 228 ALA 229 LEU 230 GLY 231 HIS 232 ASP 233 VAL 234 GLY 235 LYS 236 SER 237 LEU 238 LEU 239 GLU 240 GLU 241 ASP 242 LYS 243 ILE 244 GLU 245 LEU 246 ALA 247 LYS 248 SER 249 PHE 250 MET 251 GLU 252 LYS 253 ALA 254 LYS 255 GLU 256 LYS 257 GLY 258 VAL 259 ARG 260 PHE 261 TYR 262 MET 263 PRO 264 VAL 265 ASP 266 VAL 267 VAL 268 VAL 269 ALA 270 ASP 271 ARG 272 PHE 273 ALA 274 ASN 275 ASP 276 ALA 277 ASN 278 THR 279 LYS 280 VAL 281 VAL 282 PRO 283 ILE 284 ASP 285 ALA 286 ILE 287 PRO 288 ALA 289 ASP 290 TYR 291 SER 292 ALA 293 LEU 294 ASP 295 ILE 296 GLY 297 PRO 298 LYS 299 THR 300 ARG 301 GLU 302 LEU 303 TYR 304 ARG 305 ASP 306 VAL 307 ILE 308 ARG 309 GLU 310 SER 311 LYS 312 LEU 313 VAL 314 VAL 315 TRP 316 ASN 317 GLY 318 PRO 319 MET 320 GLY 321 VAL 322 PHE 323 GLU 324 MET 325 ASP 326 ALA 327 PHE 328 ALA 329 HIS 330 GLY 331 THR 332 LYS 333 ALA 334 ILE 335 ALA 336 GLU 337 ALA 338 LEU 339 ALA 340 GLU 341 ALA 342 LEU 343 ASP 344 THR 345 TYR 346 SER 347 VAL 348 ILE 349 GLY 350 GLY 351 GLY 352 ASP 353 SER 354 ALA 355 ALA 356 ALA 357 VAL 358 GLU 359 LYS 360 PHE 361 GLY 362 LEU 363 ALA 364 ASP 365 LYS 366 MET 367 ASP 368 HIS 369 ILE 370 SER 371 THR 372 GLY 373 GLY 374 GLY 375 ALA 376 SER 377 LEU 378 GLU 379 PHE 380 MET 381 GLU 382 GLY 383 LYS 384 GLN 385 LEU 386 PRO 387 GLY 388 VAL 389 VAL 390 ALA 391 LEU 392 GLU 393 ASP 394 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 16447 PGK 100.00 394 100.00 100.00 0.00e+00 BMRB 16451 PGK 100.00 394 100.00 100.00 0.00e+00 BMRB 16464 PGK 100.00 394 100.00 100.00 0.00e+00 PDB 1PHP "Structure Of The Adp Complex Of The 3-Phosphoglycerate Kinase From Bacillus Stearothermophilus At 1.65 Angstroms" 100.00 394 99.75 100.00 0.00e+00 DBJ BAD77342 "3-phosphoglycerate kinase [Geobacillus kaustophilus HTA426]" 100.00 394 97.97 99.24 0.00e+00 DBJ GAD14836 "phosphoglycerate kinase [Geobacillus kaustophilus GBlys]" 100.00 394 97.97 99.24 0.00e+00 DBJ GAJ57507 "phosphoglycerate kinase [Geobacillus thermoleovorans B23]" 100.00 394 97.97 99.24 0.00e+00 EMBL CAA41093 "3-phosphoglycerate kinase [Geobacillus stearothermophilus]" 100.00 394 99.75 100.00 0.00e+00 GB ACX79693 "Phosphoglycerate kinase [Geobacillus sp. Y412MC61]" 100.00 394 97.21 99.24 0.00e+00 GB ADI28008 "Phosphoglycerate kinase [Geobacillus sp. C56-T3]" 100.00 394 97.46 99.24 0.00e+00 GB ADU95522 "Phosphoglycerate kinase [Geobacillus sp. Y412MC52]" 100.00 394 97.21 99.24 0.00e+00 GB AEV20724 "Phosphoglycerate kinase [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 394 97.97 99.24 0.00e+00 GB AGE23620 "phosphoglycerate kinase [Geobacillus sp. GHH01]" 100.00 394 97.72 98.98 0.00e+00 REF WP_011232527 "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" 100.00 394 97.97 99.24 0.00e+00 REF WP_013146368 "phosphoglycerate kinase [Geobacillus sp. C56-T3]" 100.00 394 97.46 99.24 0.00e+00 REF WP_013524587 "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" 100.00 394 97.21 99.24 0.00e+00 REF WP_015375782 "phosphoglycerate kinase [Geobacillus sp. GHH01]" 100.00 394 97.72 98.98 0.00e+00 REF WP_023633686 "phosphoglycerate kinase [Geobacillus sp. MAS1]" 100.00 394 97.97 99.24 0.00e+00 SP P18912 "RecName: Full=Phosphoglycerate kinase" 100.00 394 99.75 100.00 0.00e+00 SP Q5KVE4 "RecName: Full=Phosphoglycerate kinase" 100.00 394 97.97 99.24 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 $PGK 'Geobacillus stearothermophilus' 1422 Bacteria . Geobacillus stearothermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $PGK 'recombinant technology' . Escherichia coli BL21 DE3 pKK223-3 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 $PGK 0.1 mg/ml [U-2H,U-15N] 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'peak height extraction' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _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 7.50 . pH pressure ambient . atm temperature 310 . K stop_ save_