Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15851 | Target Info | |||
| Target Name | Orotidine 5'-monophosphate decarboxylase (UMPS) | ||||
| Synonyms | Uridine 5'-monophosphate synthase; UMP synthase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | UMPS | ||||
| Biochemical Class | Pentosyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Orotidine-5'-monophosphate | Ligand Info | |||
| Canonical SMILES | C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O | ||||
| InChI | 1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 | ||||
| InChIKey | KYOBSHFOBAOFBF-XVFCMESISA-N | ||||
| PubChem Compound ID | 160617 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7AM9 OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution | ||||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
|
SER257
3.211
ASP259
2.703
LYS281
2.911
HIS283
2.966
PHE310
4.697
ASP312
2.526
ASN341
3.359
GLU370
4.275
MET371
3.207
SER372
2.787
SER373
4.924
|
|||||
| PDB ID: 6YVK Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 0.71 MGy exposure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
|
SER257
3.225
ASP259
2.709
LYS281
2.946
HIS283
2.946
PHE310
4.707
ASP312
2.493
ASN341
3.384
GLU370
4.302
MET371
3.236
SER372
2.722
SER373
4.906
|
|||||
| PDB ID: 6YVL Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
|
SER257
3.215
ASP259
2.700
LYS281
2.942
HIS283
2.982
PHE310
4.708
ASP312
2.524
ASN341
3.356
GLU370
4.292
MET371
3.237
SER372
2.748
SER373
4.917
|
|||||
| PDB ID: 6YVM Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
3.213
ASP259
2.694
LYS281
2.930
HIS283
2.985
PHE310
4.701
ASP312
2.554
ASN341
3.332
GLU370
4.285
MET371
3.238
SER372
2.735
SER373
4.917
|
|||||
| PDB ID: 6YVN Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
3.217
ASP259
2.702
LYS281
2.929
HIS283
2.995
PHE310
4.717
ASP312
2.556
ASN341
3.295
GLU370
4.302
MET371
3.245
SER372
2.727
SER373
4.914
|
|||||
| PDB ID: 6YVO Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 3.55 MGy exposure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
3.221
ASP259
2.692
LYS281
2.954
HIS283
3.010
PHE310
4.723
ASP312
2.588
ASN341
3.276
GLU370
4.294
MET371
3.241
SER372
2.716
SER373
4.912
|
|||||
| PDB ID: 6ZX0 OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
3.209
ASP259
2.714
LYS281
2.930
HIS283
2.974
PHE310
4.734
ASP312
2.527
ASN341
3.422
GLU370
4.285
MET371
3.193
SER372
2.744
SER373
4.897
|
|||||
| PDB ID: 2QCL Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to OMP | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
ELSFGARAEL
233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 CHEFLIFENR313 KFADIGNTVK323 KQYEGGIFKI 333 ASWADLVNAH343 VVPGSGVVKG353 LQEVGLPLHR363 GCLLIAEMSS373 TGSLATGDYT 383 RAAVRMAEEH393 SEFVVGFISG403 SRVSMKPEFL413 HLTPGVQLEA423 GGDNLGQQYN 433 SPQEVIGKRG443 SDIIIVGRGI453 ISAADRLEAA463 EMYRKAAWEA473 YLSRL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:281 or .A:283 or .A:312 or .A:314 or .A:341 or .A:368 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
3.280
LYS281
2.627
HIS283
3.065
ASN312
3.510
LYS314
2.657
ASN341
3.427
ILE368
4.913
GLU370
4.252
MET371
3.059
SER372
2.716
SER373
4.833
|
|||||
| PDB ID: 7Q1H Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 Angstrom resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [1] |
| PDB Sequence |
MELSFGARAE
232 LPRIHPVASK242 LLRLMQKKET252 NLCLSADVSL262 ARELLQLADA272 LGPSICMLKT 282 HVDILNDFTL292 DVMKELITLA302 KHEFLIFENR313 KFADIGNTVK323 KQYEGGIFKI 333 ASWADLVNAH343 VVPGSGVVKG353 LQEVGLPLHR363 GCLLIAEMSS373 TGSLATGDYT 383 RAAVRMAEEH393 SEFVVGFISG403 SRVSMKPEFL413 HLTPGVQLEA423 GGDNLGQQYN 433 SPQEVIGKRG443 SDIIIVGRGI453 ISAADRLEAA463 EMYRKAAWEA473 YLSRLGV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:314 or .A:341 or .A:368 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:420 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257
2.238
ASP259
4.231
LYS281
1.954
HIS283
1.800
PHE310
4.730
ASN312
3.314
LYS314
2.204
ASN341
3.714
ILE368
4.050
GLU370
4.116
MET371
2.353
SER372
1.934
SER373
4.341
|
|||||
| PDB ID: 7OQF Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 minutes soaking | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG > Chain B ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 CHEFLIFEDR313 FADIGNTVKK324 QYEGGIFKIA 334 SWADLVNAHV344 VPGSGVVKGL354 QEVGLPLHRG364 CLLIAEMSST374 GSLATGDYTR 384 AAVRMAEEHS394 EFVVGFISGS404 RVSMKPEFLH414 LTPGVQLEAG424 GDNLGQQYNS 434 PQEVIGKRGS444 DIIIVGRGII454 SAADRLEAAE464 MYRKAAWEAY474 LSRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:317 or .A:318 or .A:321 or .B:317 or .B:318 or .B:321 or .B:257 or .B:259 or .B:281 or .B:283 or .B:310 or .B:312 or .B:341 or .B:370 or .B:371 or .B:372 or .B:373 or .B:401 or .B:417 or .B:418 or .B:419 or .B:430 or .B:432 or .B:448 or .B:449 or .B:450 or .B:451 or .B:452; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257[A]
3.205
ASP259[A]
2.666
LYS281[A]
2.949
HIS283[A]
2.919
PHE310[A]
4.720
ASP312[A]
2.510
ASN341[A]
3.385
GLU370[A]
4.306
MET371[A]
3.281
SER372[A]
2.741
SER373[A]
4.917
ILE401[A]
3.856
PRO417[A]
3.280
GLY418[A]
4.359
VAL419[A]
4.434
GLN430[A]
2.927
TYR432[A]
2.621
ILE448[A]
3.852
VAL449[A]
3.942
GLY450[A]
2.842
ARG451[A]
2.663
GLY452[A]
4.705
ASP317[A]
2.665
ILE318[A]
3.539
THR321[A]
2.916
ASP317[B]
2.681
ILE318[B]
3.581
THR321[B]
2.899
SER257[B]
3.189
ASP259[B]
2.634
LYS281[B]
2.975
HIS283[B]
2.896
PHE310[B]
4.706
ASP312[B]
2.552
ASN341[B]
3.389
GLU370[B]
4.314
MET371[B]
3.267
SER372[B]
2.728
SER373[B]
4.903
ILE401[B]
3.860
PRO417[B]
3.296
GLY418[B]
4.396
VAL419[B]
4.461
GLN430[B]
2.911
TYR432[B]
2.639
ILE448[B]
3.877
VAL449[B]
3.951
GLY450[B]
2.840
ARG451[B]
2.648
GLY452[B]
4.687
|
|||||
| PDB ID: 7OQM Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG > Chain B ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 CHEFLIFEDR313 FADIGNTVKK324 QYEGGIFKIA 334 SWADLVNAHV344 VPGSGVVKGL354 QEVGLPLHRG364 CLLIAEMSST374 GSLATGDYTR 384 AAVRMAEEHS394 EFVVGFISGS404 RVSMKPEFLH414 LTPGVQLEAG424 GDNLGQQYNS 434 PQEVIGKRGS444 DIIIVGRGII454 SAADRLEAAE464 MYRKAAWEAY474 LSRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .B:317 or .B:318 or .B:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257[A]
3.144
ASP259[A]
2.622
LYS281[A]
2.978
HIS283[A]
2.820
PHE310[A]
4.610
ASP312[A]
2.711
ASN341[A]
3.322
GLU370[A]
4.313
MET371[A]
3.270
SER372[A]
2.770
SER373[A]
4.913
ILE401[A]
3.821
PRO417[A]
3.292
|
|||||
| PDB ID: 7OQK Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 minutes soaking | ||||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG > Chain B ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 CHEFLIFEDR313 FADIGNTVKK324 QYEGGIFKIA 334 SWADLVNAHV344 VPGSGVVKGL354 QEVGLPLHRG364 CLLIAEMSST374 GSLATGDYTR 384 AAVRMAEEHS394 EFVVGFISGS404 RVSMKPEFLH414 LTPGVQLEAG424 GDNLGQQYNS 434 PQEVIGKRGS444 DIIIVGRGII454 SAADRLEAAE464 MYRKAAWEAY474 LSRLG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:373 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .B:317 or .B:318 or .B:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257[A]
3.218
ASP259[A]
2.656
LYS281[A]
3.006
HIS283[A]
2.913
PHE310[A]
4.640
ASP312[A]
2.642
ASN341[A]
3.330
GLU370[A]
4.248
MET371[A]
3.283
SER372[A]
2.723
SER373[A]
4.975
ILE401[A]
3.859
PRO417[A]
3.277
|
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| PDB ID: 7OQI Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 minutes soaking | ||||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 HEFLIFEDRF315 ADIGNTVKKQ325 YEGGIFKIAS 335 WADLVNAHVV345 PGSGVVKGLQ355 EVGLPLHRGC365 LLIAEMSSTG375 SLATGDYTRA 385 AVRMAEEHSE395 FVVGFISGSR405 VSMKPEFLHL415 TPGVQLEAGG425 DNLGQQYNSP 435 QEVIGKRGSD445 IIIVGRGIIS455 AADRLEAAEM465 YRKAAWEAYL475 SRLG > Chain B ELSFGARAEL 233 PRIHPVASKL243 LRLMQKKETN253 LCLSADVSLA263 RELLQLADAL273 GPSICMLKTH 283 VDILNDFTLD293 VMKELITLAK303 CHEFLIFEDR313 FADIGNTVKK324 QYEGGIFKIA 334 SWADLVNAHV344 VPGSGVVKGL354 QEVGLPLHRG364 CLLIAEMSST374 GSLATGDYTR 384 AAVRMAEEHS394 EFVVGFISGS404 RVSMKPEFLH414 LTPGVQLEAG424 GDNLGQQYNS 434 PQEVIGKRGS444 DIIIVGRGII454 SAADRLEAAE464 MYRKAAWEAY474 LSRLG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:257 or .A:259 or .A:281 or .A:283 or .A:310 or .A:312 or .A:341 or .A:370 or .A:371 or .A:372 or .A:401 or .A:417 or .A:418 or .A:419 or .A:430 or .A:432 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:317 or .A:318 or .A:321 or .B:317 or .B:318 or .B:321 or .B:257 or .B:259 or .B:281 or .B:283 or .B:310 or .B:312 or .B:341 or .B:370 or .B:371 or .B:372 or .B:373 or .B:401 or .B:417 or .B:418 or .B:419 or .B:430 or .B:432 or .B:448 or .B:449 or .B:450 or .B:451 or .B:452; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER257[A]
3.204
ASP259[A]
2.639
LYS281[A]
2.995
HIS283[A]
2.898
PHE310[A]
4.672
ASP312[A]
2.582
ASN341[A]
3.359
GLU370[A]
4.229
MET371[A]
3.293
SER372[A]
2.765
ILE401[A]
3.832
PRO417[A]
3.259
GLY418[A]
4.436
VAL419[A]
4.391
GLN430[A]
2.944
TYR432[A]
2.614
ILE448[A]
3.876
VAL449[A]
3.981
GLY450[A]
2.877
ARG451[A]
2.700
GLY452[A]
4.728
ASP317[A]
2.655
ILE318[A]
3.448
THR321[A]
3.063
ASP317[B]
2.695
ILE318[B]
3.543
THR321[B]
2.888
SER257[B]
3.276
ASP259[B]
2.699
LYS281[B]
3.033
HIS283[B]
2.894
PHE310[B]
4.515
ASP312[B]
2.688
ASN341[B]
3.280
GLU370[B]
4.228
MET371[B]
3.251
SER372[B]
2.781
SER373[B]
4.986
ILE401[B]
3.775
PRO417[B]
3.278
GLY418[B]
4.663
VAL419[B]
4.423
GLN430[B]
2.941
TYR432[B]
2.615
ILE448[B]
3.918
VAL449[B]
4.017
GLY450[B]
2.929
ARG451[B]
2.669
GLY452[B]
4.772
|
|||||
| PDB ID: 2WNS Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
ALGPLVTGLY
16 DVQAFKFGDF26 VLKSGLSSPI36 YIDLRGIVSR46 PRLLSQVADI56 LFQTAQNAGI 66 SFDTVCGVPY76 TALPLATVIC86 STNQIPMLIR96 RKETKDYGTK106 RLVEGTINPG 116 ETCLIIEDVV126 TSGSSVLETV136 EVLQKEGLKV146 TDAIVLLDRE156 QGGKDKLQAH 166 GIRLHSVCTL176 SKMLEILEQQ186 KKVDAETVGR196 VKRFIQE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OMP or .OMP2 or .OMP3 or :3OMP;style chemicals stick;color identity;select .A:28 or .A:29 or .A:30 or .A:36 or .A:37 or .A:38 or .A:39 or .A:123 or .A:124 or .A:125 or .A:126 or .A:127 or .A:128 or .A:129 or .A:130 or .A:131 or .A:155; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis. doi:10.1038/s41929-022-00771-w. | ||||
| REF 2 | Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design. Structure. 2008 Jan;16(1):82-92. | ||||
| REF 3 | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp) | ||||
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