Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82665 | Target Info | |||
| Target Name | Protein arginine methyltransferase 5 (PRMT5) | ||||
| Synonyms | Shk1 kinase-binding protein 1 homolog; SKB1Hs; SKB1 homolog; SKB1; Protein arginine N-methyltransferase 5; Jak-binding protein 1; JBP1; IBP72; Histone-arginine N-methyltransferase PRMT5; HRMT1L5; 72 kDa ICln-binding protein | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PRMT5 | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Ligand Info | |||
| Canonical SMILES | C1=CC(=C(C=C1C(C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O)O)F)Cl | ||||
| InChI | 1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1 | ||||
| InChIKey | GTCYWLXMJRCJNE-QFRSUPTLSA-N | ||||
| PubChem Compound ID | 122497021 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7MXG PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
RVSSGRDLNC
22 VPEIADTLGA32 VAKQGFDFLC42 MPVFHPRFKR52 EFIQEPAKNR62 PGPQTRSDLL 72 LSGRDWNTLI82 VGKLSPWIRP92 DSKVEKIRRN102 SEAAMLQELN112 FGAYLGLPAF 122 LLPLNQEDNT132 NLARVLTNHI142 HTGHHSSMFW152 MRVPLVAPED162 LRDDIIENAP 172 TTHTEEYSGE182 EKTWMWWHNF192 RTLCDYSKRI202 AVALEIGADL212 PSNHVIDRWL 222 GEPIKAAILP232 TSIFLTNKKG242 FPVLSKMHQR252 LIFRLLKLEV262 QFIITGTNHH 272 SEKEFCSYLQ282 YLEYLSQNRP292 PPNAYELFAK302 GYEDYLQSPL312 QPLMDNLESQ 322 TYEVFEKDPI332 KYSQYQQAIY342 KCLLDRVPEE352 EKDTNVQVLM362 VLGAGRGPLV 372 NASLRAAKQA382 DRRIKLYAVE392 KNPNAVVTLE402 NWQFEEWGSQ412 VTVVSSDTRE 422 WVAPEKADII432 VSELLGSFAD442 NELSPECLDG452 AQHFLKDDGV462 SIPGEYTSFL 472 APISSSKLYN482 EVRACREKDR492 DPEAQFEMPY502 VVRLHNFHQL512 SAPQPCFTFS 522 HPNRDPMIDN532 NRYCTLEFPV542 EVNTVLHGFA552 GYFETVLYQD562 ITLSIRPETH 572 SPGMFSWFPI582 LFPIKQPITV592 REGQTICVRF602 WRCSNSKKVW612 YEWAVTAPVC 622 SAIHNPTGRS632 YTIGL
|
|||||
|
|
PRO314
2.881
LEU315
3.067
ASN318
4.853
LEU319
3.394
THR323
4.728
TYR324
1.919
PHE327
3.480
GLU328
4.032
LYS333
4.808
TYR334
3.683
LEU364
4.943
GLY365
2.698
ALA366
3.931
GLY367
3.572
ARG368
4.941
|
|||||
| PDB ID: 7MXA PRMT5:MEP50 complexed with inhibitor PF-06855800 | ||||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [1] |
| PDB Sequence |
RVSSGRDLNC
22 VPEIADTLGA32 VAKQGFDFLC42 MPVFHPRFKR52 EFIQEPAKNR62 PGPQTRSDLL 72 LSGRDWNTLI82 VGKLSPWIRP92 DSKVEKIRRN102 SEAAMLQELN112 FGAYLGLPAF 122 LLPLNQEDNT132 NLARVLTNHI142 HTGHHSSMFW152 MRVPLVAPED162 LRDDIIENAP 172 TTHTEEYSGE182 EKTWMWWHNF192 RTLCDYSKRI202 AVALEIGADL212 PSNHVIDRWL 222 GEPIKAAILP232 TSIFLTNKKG242 FPVLSKMHQR252 LIFRLLKLEV262 QFIITGTNHH 272 SCSYLQYLEY286 LSQNRPPPNA296 YELFAKGYED306 YLQSPLQPLM316 DNLESQTYEV 326 FEKDPIKYSQ336 YQQAIYKCLL346 DRVPEEEKDT356 NVQVLMVLGA366 GRGPLVNASL 376 RAAKQADRRI386 KLYAVEKNPN396 AVVTLENWQF406 EEWGSQVTVV416 SSDMREWVAP 426 EKADIIVSEL436 LGSFADNELS446 PECLDGAQHF456 LKDDGVSIPG466 EYTSFLAPIS 476 SSKLYNEVRA486 CREKDRDPEA496 QFEMPYVVRL506 HNFHQLSAPQ516 PCFTFSHPNR 526 DPMIDNNRYC536 TLEFPVEVNT546 VLHGFAGYFE556 TVLYQDITLS566 IRPETHSPGM 576 FSWFPILFPI586 KQPITVREGQ596 TICVRFWRCS606 NSKKVWYEWA616 VTAPVCSAIH 626 NPTGRSYTIG636 L
|
|||||
|
|
LEU312
4.771
PRO314
3.632
LEU315
3.275
LEU319
3.188
THR323
4.797
TYR324
2.496
PHE327
2.938
GLU328
4.226
LYS333
4.956
TYR334
3.881
LEU364
4.858
GLY365
3.135
ALA366
4.725
GLY367
3.676
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol Cancer Ther. 2022 Jan;21(1):3-15. | ||||
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