Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40111 | Target Info | |||
| Target Name | Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1) | ||||
| Synonyms | Superoxide-inducible protein 12; SOI12; Probable inosine-5'-monophosphate dehydrogenase IMD1; NAD-dependent inosine monophosphate dehydrogenase; Inosine dehydrogenase; IMPDH-I; IMPDH 1; IMPDH; IMPD1; IMPD 1; IMPD; IMP dehydrogenase 1; IMP dehydrogenase | ||||
| Target Type | Successful Target | ||||
| Gene Name | IMPDH1 | ||||
| Biochemical Class | CH-OH donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Inosinic Acid | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O | ||||
| InChI | 1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | GRSZFWQUAKGDAV-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 135398640 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7RER HUMAN IMPDH1 TREATED WITH ATP, IMP, AND NAD+ | ||||||
| Method | Electron microscopy | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
MADYLISGGT
10 GYVPEDGLTA20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT 60 LKTPLISSPM70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF 110 EQGFNRDYPL235 ASKDSQKQLL245 CGAAVGTRED255 DKYRLDLLTQ265 AGVDVIVLDS 275 SQGNSVYQIA285 MVHYIKQKYP295 HLQVIGGNVV305 TAAQAKNLID315 AGVDGLRVGM 325 GCGSICITQE335 VMACGRPQGT345 AVYKVAEYAR355 RFGVPIIADG365 GIQTVGHVVK 375 ALALGASTVM385 MGSLLAATTE395 APGEYFFSDG405 VRLKKYRGMG415 SLDAMEKSSD 435 KVKIAQGVSG445 SIQDKGSIQK455 FVPYLIAGIQ465 HGCQDIGARS475 LSVLRSMMYS 485 GELKFEKRTM495 SAQIEGGVHG505 LHSYEKRLY
|
|||||
|
|
SER68
1.695
PRO69
3.700
MET70
2.712
ASN303
2.576
ARG322
2.257
GLY326
4.364
CYS327
4.387
GLY328
2.462
SER329
1.693
ILE330
2.864
CYS331
2.486
ILE332
3.341
THR333
2.880
ASP364
1.554
GLY365
2.544
|
|||||
| PDB ID: 7RFG HUMAN IMPDH1 TREATED WITH GTP, IMP, AND NAD+ OCTAMER-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
GYVPEDGLTA
20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT60 LKTPLISSPM 70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF110 EQGFITDPVV 120 LSPSHTVGDV130 LEAKMRHGFS140 GIPITETGTM150 GSKLVGIVTS160 RDIDFLAEKD 170 HTTLLSEVMT180 PRIELVVAPA190 GVTLKEANEI200 LQRSKKGKLP210 IVNDCDELVA 220 IIARTDLKKN230 RDYPLASKDS240 QKQLLCGAAV250 GTREDDKYRL260 DLLTQAGVDV 270 IVLDSSQGNS280 VYQIAMVHYI290 KQKYPHLQVI300 GGNVVTAAQA310 KNLIDAGVDG 320 LRVGMGCGSI330 CITQEVMACG340 RPQGTAVYKV350 AEYARRFGVP360 IIADGGIQTV 370 GHVVKALALG380 ASTVMMGSLL390 AATTEAPGEY400 FFSDGVRLKK410 YRGMGSLDAM 420 EKSVKIAQGV443 SGSIQDKGSI453 QKFVPYLIAG463 IQHGCQDIGA473 RSLSVLRSMM 483 YSGELKFEKR493 TMSAQIEGGV503 HGLHSYEKRL513 Y
|
|||||
|
|
SER68
1.631
PRO69
3.715
MET70
2.221
ASP274
4.872
SER276
4.623
ASN303
3.212
ARG322
2.312
GLY326
4.643
CYS327
4.278
GLY328
2.321
SER329
1.676
ILE330
3.253
CYS331
2.756
ILE332
3.374
THR333
2.601
ASP364
1.590
|
|||||
| PDB ID: 7RES HUMAN IMPDH1 TREATED WITH ATP, IMP, AND NAD+, OCTAMER-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 3.05 Å | Mutation | No | [1] |
| PDB Sequence |
GGTGYVPEDG
17 LTAQQLFASA27 DGLTYNDFLI37 LPGFIDFIAD47 EVDLTSALTR57 KITLKTPLIS 67 SPMDTVTEAD77 MAIAMALMGG87 IGFIHHNCTP97 EFQANEVRKV107 KKFEQGFITD 117 PVVLSPSHTV127 GDVLEAKMRH137 GFSGIPITET147 GTLVGIVTSR161 DIDFLAEKDV 178 MTPRIELVVA188 PAGVTLKEAN198 EILQRSKKGK208 LPIVNDCDEL218 VAIIARTDLK 228 KNRDYPLASK238 DSQKQLLCGA248 AVGTREDDKY258 RLDLLTQAGV268 DVIVLDSSQG 278 NSVYQIAMVH288 YIKQKYPHLQ298 VIGGNVVTAA308 QAKNLIDAGV318 DGLRVGMGCG 328 SICITQEVMA338 CGRPQGTAVY348 KVAEYARRFG358 VPIIADGGIQ368 TVGHVVKALA 378 LGASTVMMGS388 LLAATTEAPG398 EYFFSDGVRL408 KKYRGMGSLD418 AMEKVKIAQG 442 VSGSIQDKGS452 IQKFVPYLIA462 GIQHGCQDIG472 ARSLSVLRSM482 MYSGELKFEK 492 RTMSAQIEGG502 VHGLHSYEKR512 LY
|
|||||
|
|
SER68
3.294
MET70
3.491
ASN303
4.297
ARG322
3.195
CYS327
4.259
GLY328
3.276
SER329
2.244
ILE330
3.524
CYS331
3.181
ILE332
4.613
THR333
4.224
ASP364
2.237
GLY365
3.429
GLY366
2.714
|
|||||
| PDB ID: 7RFE HUMAN IMPDH1 TREATED WITH GTP, IMP, AND NAD+; INTERFACE-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
GYVPEDGLTA
20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT60 LKTPLISSPM 70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF110 EQGFITDPVV 120 LSPSHTVGDV130 LEAKMRHGFS140 GIPITETGTM150 GSKLVGIVTS160 RDIVMTPRIE 184 LVVAPAGVTL194 KEANEILQRS204 KKGKLPIVND214 CDELVAIIAR224 TDLKKNRDYP 234 LASKDSQKQL244 LCGAAVGTRE254 DDKYRLDLLT264 QAGVDVIVLD274 SSQGNSVYQI 284 AMVHYIKQKY294 PHLQVIGGNV304 VTAAQAKNLI314 DAGVDGLRVG324 MGCGSICITQ 334 EVMACGRPQG344 TAVYKVAEYA354 RRFGVPIIAD364 GGIQTVGHVV374 KALALGASTV 384 MMGSLLAATT394 EAPGEYFFSD404 GVRLKKYRGM414 GSLDAMKVKI439 AQGVSGSIQD 449 KGSIQKFVPY459 LIAGIQHGCQ469 DIGARSLSVL479 RSMMYSGELK489 FEKRTMSAQI 499 EGGVHGLHSY509 EKRLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMP or .IMP2 or .IMP3 or :3IMP;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:274 or .A:276 or .A:303 or .A:322 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:364 or .A:365 or .A:366 or .A:367 or .A:385 or .A:386 or .A:387 or .A:388 or .A:389 or .A:411 or .A:413 or .A:414 or .A:415 or .A:416 or .A:441 or .A:442 or .A:443; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER68
1.626
PRO69
3.580
MET70
2.120
ASP274
4.743
SER276
3.988
ASN303
2.869
ARG322
2.538
GLY326
4.558
CYS327
4.003
GLY328
2.272
SER329
1.800
ILE330
2.728
CYS331
2.802
ILE332
3.426
THR333
2.070
ASP364
1.538
|
|||||
| PDB ID: 7RGL HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH ATP, IMP, NAD+, INTERFACE-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
MADYLISGGT
10 GYVPEDGLTA20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT 60 LKTPLISSPM70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF 110 EQGFITDPVA188 PAGVTLKEAN198 KLPILVAIIA223 RTDLKKNRDY233 PLASKDSQKQ 243 LLCGAAVGTR253 EDDKYRLDLL263 TQAGVDVIVL273 DSSQGNSVYQ283 IAMVHYIKQK 293 YPHLQVIGGN303 VVTAAQAKNL313 IDAGVDGLRV323 GMGCGSICIT333 QEVMACGRPQ 343 GTAVYKVAEY353 ARRFGVPIIA363 DGGIQTVGHV373 VKALALGAST383 VMMGSLLAAT 393 TEAPGEYFFS403 DGVRLKKYRG413 MGSLDAMEVK438 IAQGVSGSIQ448 DKGSIQKFVP 458 YLIAGIQHGC468 QDIGARSLSV478 LRSMMYSGEL488 KFEKRTMSAQ498 IEGGVHGLHS 508 YTFLPF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMP or .IMP2 or .IMP3 or :3IMP;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:303 or .A:322 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:364 or .A:365 or .A:366 or .A:367 or .A:385 or .A:386 or .A:387 or .A:388 or .A:389 or .A:411 or .A:413 or .A:414 or .A:415 or .A:416 or .A:441 or .A:442 or .A:443; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER68
2.839
PRO69
4.001
MET70
2.316
ASN303
2.932
ARG322
2.104
GLY326
3.388
CYS327
4.433
GLY328
2.362
SER329
1.908
ILE330
2.942
CYS331
0.752
ILE332
3.073
THR333
3.548
ASP364
1.580
GLY365
2.574
|
|||||
| PDB ID: 7RGM HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH ATP, IMP, NAD+, OCTAMER-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
GYVPEDGLTA
20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT60 LKTPLISSPM 70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF110 EQGFITDPVV 120 LSPSHTVGDV130 LEAKMRHGFS140 GIPITETGTM150 GSKLVGIVTS160 RDIDFLAEKD 170 HTTLVMTPRI183 ELVVAPAGVT193 LKEANEILQR203 SKKGKLPIVN213 DCDELVAIIA 223 RTDLKKNRDY233 PLASKDSQKQ243 LLCGAAVGTR253 EDDKYRLDLL263 TQAGVDVIVL 273 DSSQGNSVYQ283 IAMVHYIKQK293 YPHLQVIGGN303 VVTAAQAKNL313 IDAGVDGLRV 323 GMGCGSICIT333 QEVMACGRPQ343 GTAVYKVAEY353 ARRFGVPIIA363 DGGIQTVGHV 373 VKALALGAST383 VMMGSLLAAT393 TEAPGEYFFS403 DGVRLKKYRG413 MGSLDAMEKV 437 KIAQGVSGSI447 QDKGSIQKFV457 PYLIAGIQHG467 CQDIGARSLS477 VLRSMMYSGE 487 LKFEKRTMSA497 QIEGGVHGLH507 SYTF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMP or .IMP2 or .IMP3 or :3IMP;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:274 or .A:276 or .A:303 or .A:322 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:364 or .A:365 or .A:366 or .A:367 or .A:385 or .A:386 or .A:387 or .A:388 or .A:389 or .A:411 or .A:412 or .A:413 or .A:414 or .A:415 or .A:416 or .A:441 or .A:442 or .A:443; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER68
1.768
PRO69
3.737
MET70
2.537
ASP274
4.971
SER276
4.992
ASN303
2.912
ARG322
2.094
GLY326
4.825
CYS327
4.515
GLY328
2.674
SER329
1.608
ILE330
2.833
CYS331
1.776
ILE332
3.950
THR333
3.505
ASP364
1.586
GLY365
2.607
|
|||||
| PDB ID: 7RGI HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH GTP, ATP, IMP, NAD+; INTERFACE-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [1] |
| PDB Sequence |
GYVPEDGLTA
20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT60 LKTPLISSPM 70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF110 EQGFITDPII 222 ARTDLKKNRD232 YPLASKDSQK242 QLLCGAAVGT252 REDDKYRLDL262 LTQAGVDVIV 272 LDSSQGNSVY282 QIAMVHYIKQ292 KYPHLQVIGG302 NVVTAAQAKN312 LIDAGVDGLR 322 VGMGCGSICI332 TQEVMACGRP342 QGTAVYKVAE352 YARRFGVPII362 ADGGIQTVGH 372 VVKALALGAS382 TVMMGSLLAA392 TTEAPKIAQG442 VSGSIQDKGS452 IQKFVPYLIA 462 GIQHGCQDIG472 ARSLSVLRSM482 MYSGELKFEK492 RTMSAQIEGG502 VHGLHSY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMP or .IMP2 or .IMP3 or :3IMP;style chemicals stick;color identity;select .A:68 or .A:70 or .A:276 or .A:303 or .A:322 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:333 or .A:364 or .A:365 or .A:366 or .A:367 or .A:385 or .A:386 or .A:387 or .A:388 or .A:389 or .A:441 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER68
3.121
MET70
2.184
SER276
2.692
ASN303
3.120
ARG322
3.817
GLY326
4.411
CYS327
3.469
GLY328
2.302
SER329
2.019
ILE330
2.624
CYS331
2.610
THR333
2.828
|
|||||
| PDB ID: 7RGQ HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH GTP, ATP, IMP, NAD+; INTERFACE-CENTERED | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | No | [1] |
| PDB Sequence |
GYVPEDGLTA
20 QQLFASADGL30 TYNDFLILPG40 FIDFIADEVD50 LTSALTRKIT60 LKTPLISSPM 70 DTVTEADMAI80 AMALMGGIGF90 IHHNCTPEFQ100 ANEVRKVKKF110 EQGFITDPVV 120 LSPSHTVGDV130 LEAKMRHGFS140 GIPITETGTM150 GSKLVGIVTS160 RDIDFDHTTL 174 LSEVMTPRIE184 LVVAPAGVTL194 KEANEILQRS204 KKGKLPIVND214 CDELVAIIAR 224 TDLKKNRDYP234 LASKDSQKQL244 LCGAAVGTRE254 DDKYRLDLLT264 QAGVDVIVLD 274 SSQGNSVYQI284 AMVHYIKQKY294 PHLQVIGGNV304 VTAAQAKNLI314 DAGVDGLRVG 324 MGCGSICITQ334 EVMACGRPQG344 TAVYKVAEYA354 RRFGVPIIAD364 GGIQTVGHVV 374 KALALGASTV384 MMGSLLAATT394 EAPGEYFFSD404 GVRLKKYRGM414 GSLKIAQGVS 444 GSIQDKGSIQ454 KFVPYLIAGI464 QHGCQDIGAR474 SLSVLRSMMY484 SGELKFEKRT 494 MSAQIEGGVH504 GLHSYTFLPF514 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMP or .IMP2 or .IMP3 or :3IMP;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:303 or .A:322 or .A:327 or .A:328 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:364 or .A:365 or .A:366 or .A:367 or .A:385 or .A:386 or .A:387 or .A:388 or .A:389 or .A:411 or .A:413 or .A:414 or .A:415 or .A:441 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER68
1.723
PRO69
3.227
MET70
3.031
ASN303
3.114
ARG322
3.800
CYS327
3.438
GLY328
2.348
SER329
1.780
ILE330
2.882
CYS331
2.486
ILE332
3.917
THR333
3.783
ASP364
1.679
GLY365
2.527
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | IMPDH1 retinal variants control filament architecture to tune allosteric regulation. Nat Struct Mol Biol. 2022 Jan;29(1):47-58. | ||||
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