Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | HUMAN IMPDH1 TREATED WITH GTP, IMP, AND NAD+; INTERFACE-CENTERED | PDB:7RFE | ||||
| 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
|
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GLY141
4.838
ILE157
2.787
VAL158
3.407
THR159
2.298
SER160
1.689
ARG161
1.804
ASP162
1.670
MET179
4.618
THR180
1.770
GLU184
3.418
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-Chloropurine Riboside, 5'-Monophosphate | Ligand Info | |||||
| Structure Description | BINARY COMPLEX OF HUMAN TYPE-I INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP | PDB:1JCN | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
TGYVPEDGLT
19 AQQLFASADD29 LTYNDFLILP39 GFIDFIADEV49 DLTSALTRKI59 TLKTPLISSP 69 MDTVTEADMA79 IAMALMGGIG89 FIHHNCTPEF99 QANEVRKVKN109 FEQGFITDPV 119 VLSPGIPITE146 VGIVTSRDID164 PRIELVVAPA190 GVTLKEANEI200 LQRSKKGKLP 210 IVNDCDELVR224 TDLKKNRDYP234 LASKDSQKQL244 LCGAAVGTRE254 DDKYRLDLLT 264 QAGVDVIVLD274 SSQGNSVYQI284 AMVHYIKQKY294 PHLQVIGGNV304 VTAAQAKNLI 314 DAGVDGLRVG324 MGCGSICITQ334 EVMACGRPQG344 TAVYKVAEYA354 RRFGVPIIAD 364 GGIQTVGHVV374 KALALGASTV384 MMGSLLAATT394 EAPGEKGSIQ454 KFVPYLIAGI 464 QHGCQDIGAR474 SLSVLRSMMY484 SGELKFEKRT494 MSAQI
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| Ligand Name: Guanosine-5'-Triphosphate | Ligand Info | |||||
| Structure Description | HUMAN IMPDH1 TREATED WITH GTP, IMP, AND NAD+; INTERFACE-CENTERED | PDB:7RFE | ||||
| 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
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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 .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:62 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:115 or .A:117 or .A:118 or .A:119 or .A:134 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:159 or .A:160 or .A:194 or .A:195 or .A:198 or .A:201 or .A:202 or .A:208 or .A:221 or .A:222 or .A:223 or .A:225 or .A:226 or .A:227 or .A:229 or .A:230 or .A:231 or .A:233 or .A:234 or .A:236 or .A:238 or .A:242; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Inosinic Acid | Ligand Info | |||||
| Structure Description | HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH ATP, IMP, NAD+, INTERFACE-CENTERED | PDB:7RGL | ||||
| 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
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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 .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 #f3c393; 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
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Nicotinamide-Adenine-Dinucleotide | Ligand Info | |||||
| Structure Description | HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH ATP, IMP, NAD+, INTERFACE-CENTERED | PDB:7RGL | ||||
| 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
|
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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 .NAD or .NAD2 or .NAD3 or :3NAD;style chemicals stick;color identity;select .A:69 or .A:93 or .A:252 or .A:253 or .A:254 or .A:274 or .A:275 or .A:276 or .A:277 or .A:280 or .A:282 or .A:303 or .A:322 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:331 or .A:333 or .A:364 or .A:414 or .A:415 or .A:441; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO69
4.835
HIS93
3.410
THR252
2.202
ARG253
2.042
GLU254
3.996
ASP274
1.901
SER275
2.949
SER276
2.121
GLN277
3.873
SER280
4.288
TYR282
2.912
ASN303
2.819
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | IMPDH1 retinal variants control filament architecture to tune allosteric regulation. Nat Struct Mol Biol. 2022 Jan;29(1):47-58. | ||||
| REF 2 | Crystal Structure of the Human Type I Inosine Monophosphate Dehydrogenase and Implications for Isoform Specificity | ||||
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