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 | Guanosine-5'-Triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | XKMLYUALXHKNFT-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398633 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| 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
|
|||||
|
|
LYS62
2.799
LYS109
2.278
PHE110
3.323
GLU111
2.569
GLN112
1.782
GLY113
2.506
ILE115
2.452
ASP117
4.559
PRO118
2.354
VAL119
2.042
LYS134
1.722
GLY138
3.912
PHE139
2.418
SER140
1.873
GLY141
1.850
ILE142
4.043
PRO143
4.328
THR159
4.462
SER160
1.613
LEU194
2.841
LYS195
3.311
|
|||||
| 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
|
|||||
|
|
LYS62
2.656
LYS109
2.293
PHE110
3.038
GLU111
2.520
GLN112
1.783
GLY113
2.543
ILE115
2.422
ASP117
4.495
PRO118
2.354
VAL119
1.944
LYS134
1.741
GLY138
3.905
PHE139
2.780
SER140
1.798
GLY141
1.826
ILE142
3.980
PRO143
4.147
THR159
3.540
SER160
2.596
LEU194
3.101
|
|||||
| 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
|
|||||
|
|
LYS62
4.582
ARG105
4.194
LYS109
3.266
PHE110
3.596
GLU111
2.788
GLN112
1.811
GLY113
2.925
ILE115
2.297
ASP117
4.325
PRO118
3.841
VAL119
3.217
LYS134
4.850
HIS137
2.862
GLY138
4.343
PHE139
2.370
SER140
1.616
GLY141
3.582
|
|||||
| 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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