Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 complexed with adenosine | PDB:7MXC | ||||
| Method | X-ray diffraction | Resolution | 2.41 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
|
|||||
|
|
PRO314
3.418
LEU315
3.355
ASP317
4.989
LEU319
4.619
TYR324
2.722
LEU364
4.985
GLY365
3.172
ALA366
4.725
GLY367
3.705
VAL391
4.570
GLU392
2.638
|
|||||
| Ligand Name: Ademetionine | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with Compound 10 and SAM | PDB:5EML | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [2] |
| 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 VTVVSSDMRE 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
3.620
LEU315
3.703
LEU319
4.363
TYR324
2.453
GLU328
4.221
LYS333
2.854
TYR334
2.811
LEU364
4.704
GLY365
3.181
ALA366
4.098
GLY367
3.650
PRO370
3.193
LEU371
3.518
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: JNJ-64619178 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 | PDB:6RLQ | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [3] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K8N or .K8N2 or .K8N3 or :3K8N;style chemicals stick;color identity;select .A:312 or .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:333 or .A:334 or .A:365 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:449 or .A:578 or .A:579; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU312
4.834
PRO314
3.346
LEU315
3.408
LEU319
4.574
TYR324
2.498
PHE327
2.933
LYS333
3.424
TYR334
4.440
GLY365
3.596
GLY367
3.682
VAL391
4.572
GLU392
2.491
LYS393
2.931
ASN394
3.949
|
|||||
| Ligand Name: Sinefungin | Ligand Info | |||||
| Structure Description | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | PDB:6V0P | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [4] |
| 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 QFIITGTNHE 276 FCSYLQYLEY286 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SFG or .SFG2 or .SFG3 or :3SFG;style chemicals stick;color identity;select .A:314 or .A:315 or .A:318 or .A:319 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:368 or .A:370 or .A:371 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:444 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.278
LEU315
2.549
ASN318
4.729
LEU319
3.982
TYR324
1.963
PHE327
3.039
GLU328
3.668
LYS333
3.172
TYR334
2.679
LEU364
4.800
GLY365
2.481
ALA366
3.799
GLY367
2.681
ARG368
4.443
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methylthioadenosine | Ligand Info | |||||
| Structure Description | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | PDB:7ZVU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MTA or .MTA2 or .MTA3 or :3MTA;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:364 or .A:365 or .A:366 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.505
LEU315
3.355
LEU319
4.488
TYR324
2.651
PHE327
3.667
LEU364
4.787
GLY365
3.069
ALA366
4.706
GLY367
3.623
VAL391
4.543
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: EPZ015666 | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | PDB:4X60 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [6] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3XV or .3XV2 or .3XV3 or :33XV;style chemicals stick;color identity;select .A:300 or .A:301 or .A:304 or .A:309 or .A:312 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:577 or .A:578 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.797
ALA301
4.607
TYR304
3.826
GLN309
3.426
LEU312
4.293
LEU319
3.661
THR323
4.364
TYR324
4.097
VAL326
4.228
PHE327
3.483
LYS333
3.639
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | PDB:6V0P | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [4] |
| 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 QFIITGTNHE 276 FCSYLQYLEY286 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QN4 or .QN42 or .QN43 or :3QN4;style chemicals stick;color identity;select .A:239 or .A:241 or .A:243 or .A:244 or .A:245 or .A:276 or .A:278 or .A:279 or .A:281 or .A:282 or .A:283 or .A:286; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s,5s,6e)-2,5-Diamino-6-[(3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxydihydrofuran-2(3h)-Ylidene]hexanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the human PRMT5:MEP50 Complex | PDB:4GQB | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [7] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0XU or .0XU2 or .0XU3 or :30XU;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:370 or .A:371 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:444 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.525
LEU315
3.378
LEU319
4.382
TYR324
2.737
PHE327
3.859
GLU328
4.452
LYS333
3.045
TYR334
2.708
LEU364
4.785
GLY365
2.950
ALA366
3.946
GLY367
3.712
PRO370
3.158
LEU371
3.440
|
|||||
| Ligand Name: 2-(5-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide | Ligand Info | |||||
| Structure Description | CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988 | PDB:7M05 | ||||
| Method | Electron microscopy | Resolution | 2.39 Å | Mutation | No | [4] |
| PDB Sequence |
RVSSGRDLNC
22 VPEIADTLGA32 VAKQGFDFLC42 MPVFHPRFKR52 EFIQEPAKNR62 PGPQTRSDLL 72 LSGRDWNTLI82 VGKLSPWIRP92 DSKVEKIRRN102 SEAAMLQELN112 FGAYLGLPAF 122 LLPLNQEDNT132 NLARVLTNHI142 HTSMFWMRVP156 LVAPEDLRDD166 IIENAPTTGE 182 EKTWMWWHNF192 RTLCDYSKRI202 AVALEIGADL212 PSNHVIDRWL222 GEPIKAAILP 232 TSIFLTNKKG242 FPVLSKMHQR252 LIFRLLKLEV262 QFIITGTNHH272 SEKEFCSYLQ 282 YLEYLSQNRP292 PPNAYELFAK302 GYEDYLQSPL312 QPLMDNLESQ322 TYEVFEKDPI 332 KYSQYQQAIY342 KCLLDRVPEE352 EKDTNVQVLM362 VLGAGRGPLV372 NASLRAAKQA 382 DRRIKLYAVE392 KNPNAVVTLE402 NWQFEEWGSQ412 VTVVSSDMRE422 WVAPEKADII 432 VSELLGSFAD442 NELSPECLDG452 AQHFLKDDGV462 SIPGEYTSFL472 APISSSKLYN 482 EVRACREKDR492 DPEAQFEMPY502 VVRLHNFHQL512 SAPQPCFTFS522 HPNRDPMIDN 532 NRYCTLEFPV542 EVNTVLHGFA552 GYFETVLYQD562 ITLSIRPETH572 SPGMFSWFPI 582 LFPIKQPITV592 REGQTICVRF602 WRCSNSKKVW612 YEWAVTAPVC622 SAIHNPTGRS 632 YTIGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YJG or .YJG2 or .YJG3 or :3YJG;style chemicals stick;color identity;select .A:239 or .A:241 or .A:243 or .A:244 or .A:245 or .A:275 or .A:276 or .A:278 or .A:279 or .A:282 or .A:283 or .A:286; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 | PDB:7MXG | ||||
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZR4 or .ZR42 or .ZR43 or :3ZR4;style chemicals stick;color identity;select .A:314 or .A:315 or .A:318 or .A:319 or .A:323 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:368 or .A:370 or .A:391 or .A:392 or .A:393 or .A:394 or .A:397 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:444 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 complexed with inhibitor PF-06939999 | PDB:7MX7 | ||||
| Method | X-ray diffraction | Resolution | 2.49 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZR1 or .ZR12 or .ZR13 or :3ZR1;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:365 or .A:366 or .A:367 or .A:368 or .A:370 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:444 or .A:449 or .A:579; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.501
LEU315
3.611
LEU319
4.446
TYR324
2.520
PHE327
2.944
GLU328
4.309
LYS333
3.524
TYR334
3.355
GLY365
3.474
ALA366
3.783
GLY367
3.168
ARG368
3.865
PRO370
3.527
VAL391
4.587
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-ethyl-3H-imidazo[4,5-b]pyridin-2-amine | Ligand Info | |||||
| Structure Description | Human PRMT5:MEP50 structure with Fragment (Example 18) and MTA Bound | PDB:7ZUP | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [5] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYX or .JYX2 or .JYX3 or :3JYX;style chemicals stick;color identity;select .A:312 or .A:314 or .A:327 or .A:333 or .A:334 or .A:435 or .A:436 or .A:437 or .A:438 or .A:444 or .A:578 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile | Ligand Info | |||||
| Structure Description | PRMT5/MEP50 with compound 30 bound | PDB:7SER | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [8] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .97L or .97L2 or .97L3 or :397L;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:310 or .A:311 or .A:312 or .A:314 or .A:319 or .A:323 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:578 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.714
TYR304
3.093
GLN309
3.011
SER310
2.265
PRO311
3.412
LEU312
2.980
PRO314
3.583
LEU319
4.944
THR323
4.819
VAL326
3.886
PHE327
3.284
LYS333
2.623
|
|||||
| Ligand Name: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | PDB:6RLL | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [9] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K8H or .K8H2 or .K8H3 or :3K8H;style chemicals stick;color identity;select .A:312 or .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:334 or .A:365 or .A:366 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:438 or .A:444 or .A:449 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU312
4.525
PRO314
3.516
LEU315
3.880
LEU319
3.930
TYR324
2.599
PHE327
3.607
TYR334
4.735
GLY365
3.029
ALA366
4.803
GLY367
3.421
VAL391
4.466
GLU392
2.501
LYS393
3.422
|
|||||
| Ligand Name: (2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with Compound 8 and sinefungin | PDB:5EMJ | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [2] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QJ or .5QJ2 or .5QJ3 or :35QJ;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:310 or .A:311 or .A:312 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:578 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.639
TYR304
3.518
GLN309
3.928
SER310
3.747
PRO311
4.118
LEU312
3.580
LEU319
3.611
THR323
4.058
TYR324
3.861
VAL326
4.318
PHE327
3.442
|
|||||
| Ligand Name: 2-(Cyclobutylamino)-N-[(2s)-3-(3,4-Dihydroisoquinolin-2(1h)-Yl)-2-Hydroxypropyl]pyridine-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with EPZ015866 and sinefungin | PDB:5C9Z | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [10] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4Z2 or .4Z22 or .4Z23 or :34Z2;style chemicals stick;color identity;select .A:300 or .A:301 or .A:304 or .A:309 or .A:312 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:577 or .A:578 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.516
ALA301
4.400
TYR304
3.922
GLN309
3.251
LEU312
4.150
LEU319
3.773
THR323
4.702
TYR324
4.193
VAL326
3.730
PHE327
3.479
LYS333
3.705
|
|||||
| Ligand Name: (S)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-((tetrahydro-2H-pyran-4-yl)amino)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with Compound 15 and sinefungin | PDB:5EMM | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [2] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QL or .5QL2 or .5QL3 or :35QL;style chemicals stick;color identity;select .A:300 or .A:301 or .A:304 or .A:309 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:577 or .A:578 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.571
ALA301
4.278
TYR304
4.069
GLN309
3.279
LEU319
3.649
THR323
4.455
TYR324
4.264
VAL326
3.601
PHE327
3.536
LYS333
3.451
TYR334
4.562
|
|||||
| Ligand Name: (R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with Compound 10 and SAM | PDB:5EML | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [2] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QK or .5QK2 or .5QK3 or :35QK;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:312 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:578 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.794
TYR304
3.427
GLN309
3.257
LEU312
3.436
LEU319
3.587
THR323
3.767
TYR324
4.079
VAL326
4.190
PHE327
3.424
LYS333
3.729
|
|||||
| Ligand Name: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | PDB:7KIC | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [11] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFS or .WFS2 or .WFS3 or :3WFS;style chemicals stick;color identity;select .A:312 or .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:333 or .A:334 or .A:365 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:449 or .A:578 or .A:579; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU312
4.484
PRO314
3.330
LEU315
3.843
LEU319
3.691
TYR324
2.686
PHE327
3.219
LYS333
3.423
TYR334
4.426
GLY365
3.469
GLY367
3.565
VAL391
4.815
GLU392
2.720
LYS393
3.331
ASN394
3.786
|
|||||
| Ligand Name: 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine | Ligand Info | |||||
| Structure Description | Human PRMT5:MEP50 structure with Fragment 1 and MTA Bound | PDB:8CSG | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [5] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PWL or .PWL2 or .PWL3 or :3PWL;style chemicals stick;color identity;select .A:312 or .A:314 or .A:327 or .A:333 or .A:334 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:578 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile | Ligand Info | |||||
| Structure Description | PRMT5/MEP50 with compound 29 bound | PDB:7SES | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [8] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .97X or .97X2 or .97X3 or :397X;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:310 or .A:311 or .A:312 or .A:314 or .A:326 or .A:327 or .A:333 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:578 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.535
TYR304
3.439
GLN309
3.574
SER310
3.373
PRO311
3.703
LEU312
3.076
PRO314
4.415
VAL326
3.672
PHE327
3.267
LYS333
2.804
|
|||||
| Ligand Name: Prmt5-IN-15 | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72 | PDB:7KID | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [11] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFV or .WFV2 or .WFV3 or :3WFV;style chemicals stick;color identity;select .A:312 or .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:333 or .A:334 or .A:365 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:397 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:449 or .A:578 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU312
4.268
PRO314
3.575
LEU315
3.191
LEU319
3.756
TYR324
2.789
PHE327
3.259
LYS333
2.768
TYR334
3.302
GLY365
3.631
GLY367
3.598
VAL391
4.660
GLU392
2.720
LYS393
3.475
ASN394
4.007
|
|||||
| Ligand Name: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | PDB:7KIB | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [11] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFM or .WFM2 or .WFM3 or :3WFM;style chemicals stick;color identity;select .A:312 or .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:449 or .A:578 or .A:579; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU312
4.498
PRO314
3.384
LEU315
3.520
LEU319
3.738
TYR324
2.860
PHE327
3.222
LYS333
3.467
TYR334
4.567
LEU364
4.922
GLY365
3.363
ALA366
4.937
GLY367
3.580
VAL391
4.634
GLU392
2.690
LYS393
3.363
|
|||||
| Ligand Name: N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PRMT5:MEP50 with Compound 9 and sinefungin | PDB:5EMK | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [2] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QH or .5QH2 or .5QH3 or :35QH;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:310 or .A:311 or .A:312 or .A:319 or .A:323 or .A:324 or .A:326 or .A:327 or .A:333 or .A:334 or .A:435 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:578 or .A:579 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.468
TYR304
3.532
GLN309
3.180
SER310
3.277
PRO311
3.457
LEU312
2.884
LEU319
3.687
THR323
4.354
TYR324
4.012
VAL326
4.663
PHE327
3.554
|
|||||
| Ligand Name: 2-[[7-[(2R,3R,4S,5R)-5-[(R)-(4-chlorophenyl)-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]acetaldehyde | Ligand Info | |||||
| Structure Description | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors | PDB:6K1S | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [12] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CUX or .CUX2 or .CUX3 or :3CUX;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:444 or .A:445 or .A:449A; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.453
LEU315
3.669
LEU319
3.736
TYR324
2.585
PHE327
3.697
GLU328
4.028
LYS333
4.328
TYR334
4.003
LEU364
4.809
GLY365
3.320
ALA366
4.867
GLY367
3.689
VAL391
4.285
|
|||||
| Ligand Name: Prmt5-IN-21 | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1 | PDB:7U30 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [13] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LB3 or .LB32 or .LB33 or :3LB3;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:323 or .A:324 or .A:327 or .A:328 or .A:333 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:370 or .A:391 or .A:392 or .A:393 or .A:394 or .A:397 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:444 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.368
LEU315
3.368
LEU319
3.228
THR323
4.148
TYR324
2.640
PHE327
3.165
GLU328
4.972
LYS333
4.884
TYR334
3.773
LEU364
4.863
GLY365
2.934
ALA366
4.165
GLY367
3.381
PRO370
4.787
|
|||||
| Ligand Name: 1H-Benzimidazol-2-amine, 7-chloro-1-methyl- | Ligand Info | |||||
| Structure Description | Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound | PDB:8CTB | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [5] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PWX or .PWX2 or .PWX3 or :3PWX;style chemicals stick;color identity;select .A:312 or .A:314 or .A:327 or .A:333 or .A:435 or .A:436 or .A:437 or .A:438 or .A:444 or .A:578 or .A:579; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Methyl-1,5-naphthyridin-2-amine | Ligand Info | |||||
| Structure Description | HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound | PDB:7UY1 | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | No | [5] |
| 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 SFCSYLQYLE285 YLSQNRPPPN295 AYELFAKGYE305 DYLQSPLQPL315 MDNLESQTYE 325 VFEKDPIKYS335 QYQQAIYKCL345 LDRVPEEEKD355 TNVQVLMVLG365 AGRGPLVNAS 375 LRAAKQADRR385 IKLYAVEKNP395 NAVVTLENWQ405 FEEWGSQVTV415 VSSDMREWVA 425 PEKADIIVSE435 LLGSFADNEL445 SPECLDGAQH455 FLKDDGVSIP465 GEYTSFLAPI 475 SSSKLYNEVR485 ACREKDRDPE495 AQFEMPYVVR505 LHNFHQLSAP515 QPCFTFSHPN 525 RDPMIDNNRY535 CTLEFPVEVN545 TVLHGFAGYF555 ETVLYQDITL565 SIRPETHSPG 575 MFSWFPILFP585 IKQPITVREG595 QTICVRFWRC605 SNSKKVWYEW615 AVTAPVCSAI 625 HNPTGRSYTI635 GL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PJ0 or .PJ02 or .PJ03 or :3PJ0;style chemicals stick;color identity;select .A:312 or .A:314 or .A:327 or .A:333 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile | Ligand Info | |||||
| Structure Description | PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound | PDB:7UOH | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [14] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NXF or .NXF2 or .NXF3 or :3NXF;style chemicals stick;color identity;select .A:300 or .A:304 or .A:309 or .A:310 or .A:311 or .A:312 or .A:314 or .A:326 or .A:327 or .A:333 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:503 or .A:577 or .A:578 or .A:579 or .A:580; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE300
3.965
TYR304
3.627
GLN309
3.454
SER310
3.306
PRO311
3.810
LEU312
3.017
PRO314
4.351
VAL326
3.480
PHE327
3.371
LYS333
2.650
GLU435
2.589
|
|||||
| Ligand Name: 4-Methyl-1,5-naphthyridin-2-amine | Ligand Info | |||||
| Structure Description | Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound | PDB:7UYF | ||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [5] |
| 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 KEFCSYLQYL284 EYLSQNRPPP294 NAYELFAKGY304 EDYLQSPLQP314 LMDNLESQTY 324 EVFEKDPIKY334 SQYQQAIYKC344 LLDRVPEEEK354 DTNVQVLMVL364 GAGRGPLVNA 374 SLRAAKQADR384 RIKLYAVEKN394 PNAVVTLENW404 QFEEWGSQVT414 VVSSDMREWV 424 APEKADIIVS434 ELLGSFADNE444 LSPECLDGAQ454 HFLKDDGVSI464 PGEYTSFLAP 474 ISSSKLYNEV484 RACREKDRDP494 EAQFEMPYVV504 RLHNFHQLSA514 PQPCFTFSHP 524 NRDPMIDNNR534 YCTLEFPVEV544 NTVLHGFAGY554 FETVLYQDIT564 LSIRPETHSP 574 GMFSWFPILF584 PIKQPITVRE594 GQTICVRFWR604 CSNSKKVWYE614 WAVTAPVCSA 624 IHNPTGRSYT634 IGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PUI or .PUI2 or .PUI3 or :3PUI;style chemicals stick;color identity;select .A:312 or .A:314 or .A:327 or .A:333 or .A:334 or .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:444 or .A:578 or .A:579; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol | Ligand Info | |||||
| Structure Description | Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity | PDB:6CKC | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [15] |
| 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 VTVVSSDMRE 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F5J or .F5J2 or .F5J3 or :3F5J;style chemicals stick;color identity;select .A:314 or .A:315 or .A:319 or .A:324 or .A:327 or .A:334 or .A:364 or .A:365 or .A:366 or .A:367 or .A:391 or .A:392 or .A:393 or .A:394 or .A:418 or .A:419 or .A:420 or .A:421 or .A:435 or .A:436 or .A:444 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO314
3.296
LEU315
3.517
LEU319
3.494
TYR324
2.669
PHE327
3.548
TYR334
4.930
LEU364
4.861
GLY365
3.239
ALA366
4.869
GLY367
3.538
VAL391
4.532
|
|||||
| Ligand Name: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | PDB:6UXY | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [16] |
| 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 PPNAYELSPL312 QPLMDNLESQ322 TYEVFEKDPI 332 KYSQYQQAIY342 KCLLDRVPEE352 EKDTNVQVLM362 VLGAGRGPLV372 NASLRAAKQA 382 DRRIKLYAVE392 KNPNAVVTLE402 NWQFEEWGSQ412 VTVVSSDMRE422 WVAPEKADII 432 VSELLGSFAD442 NELSPECLDG452 AQHFLKDDGV462 SIPGEYTSFL472 APISSSKLYN 482 EVRACREKDR492 DPEAQFEMPY502 VVRLHNFHQL512 SAPQPCFTFS522 HPNRDPMIDN 532 NRYCTLEFPV542 EVNTVLHGFA552 GYFETVLYQD562 ITLSIRPETH572 SPGMFSWFPI 582 LFPIKQPITV592 REGQTICVRF602 WRCSNSKKVW612 YEWAVTAPVC622 SAIHNPTGRS 632 YTIGL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QKY or .QKY2 or .QKY3 or :3QKY;style chemicals stick;color identity;select .A:315 or .A:436 or .A:443 or .A:444 or .A:445 or .A:446 or .A:447 or .A:468 or .A:470 or .A:471 or .A:472 or .A:518 or .A:519 or .A:521 or .A:553 or .A:554 or .A:555 or .A:567 or .A:580 or .A:581 or .A:582 or .A:584 or .A:602 or .A:613; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU315
4.830
LEU436
3.885
ASN443
3.384
GLU444
2.822
LEU445
4.991
SER446
4.033
PRO447
3.833
TYR468
3.835
SER470
3.802
PHE471
3.722
LEU472
4.129
CYS518
4.547
|
|||||
| Ligand Name: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one | Ligand Info | |||||
| Structure Description | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a | PDB:6UXX | ||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [16] |
| PDB Sequence |
VSSGRDLNCV
23 PEIADTLGAV33 AKQGFDFLCM43 PVFHPRFKRE53 FIQEPAKNRP63 GPQTRSDLLL 73 SGRDWNTLIV83 GKLSPWIRPD93 SKVEKIRRNS103 EAAMLQELNF113 GAYLGLPAFL 123 LPLNQEDNTN133 LARVLTNHIH143 TGHHSSMFWM153 RVPLVAPEDL163 RDDIIENAPT 173 THTEEYSGEE183 KTWMWWHNFR193 TLCDYSKRIA203 VALEIGADLP213 SNHVIDRWLG 223 EPIKAAILPT233 SIFLTNKKGF243 PVLSKMHQRL253 IFRLLKLEVQ263 FIITGTNHHS 273 EKEFCSYLQY283 LEYLSQNRPP293 PNAYELFAKG303 YEDYLQSPVF327 EKDPIKYSQY 337 QQAIYKCLLD347 RVPEEEKDTN357 VQVLMVLGAG367 RGPLVNASLR377 AAKQADRRIK 387 LYAVEKNPNA397 VVTLENWQFE407 EWGSQVTVVS417 SDMREWVAPE427 KADIIVSELL 437 GSFADNELSP447 ECLDGAQHFL457 KDDGVSIPGE467 YTSFLAPISS477 SKLYNEVRAC 487 REKDRDPEAQ497 FEMPYVVRLH507 NFHQLSAPQP517 CFTFSHPNRD527 PMIDNNRYCT 537 LEFPVEVNTV547 LHGFAGYFET557 VLYQDITLSI567 RPETHSPGMF577 SWFPILFPIK 587 QPITVREGQT597 ICVRFWRCSN607 SKKVWYEWAV617 TAPVCSAIHN627 PTGRSYTIGL 637
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QL1 or .QL12 or .QL13 or :3QL1;style chemicals stick;color identity;select .A:436 or .A:437 or .A:443 or .A:444 or .A:446 or .A:468 or .A:469 or .A:470 or .A:471 or .A:472 or .A:518 or .A:519 or .A:553 or .A:554 or .A:555 or .A:567 or .A:580 or .A:581 or .A:582 or .A:584 or .A:602 or .A:613; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU436
3.832
LEU437
3.606
ASN443
3.441
GLU444
2.819
SER446
4.211
TYR468
3.712
THR469
4.880
SER470
3.635
PHE471
4.434
LEU472
3.633
CYS518
3.780
|
|||||
| 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. | ||||
| REF 2 | Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666. ACS Med Chem Lett. 2015 Dec 2;7(2):162-6. | ||||
| REF 3 | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 | ||||
| REF 4 | Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction. J Med Chem. 2021 Aug 12;64(15):11148-11168. | ||||
| REF 5 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. RSC Med Chem. 2022 Sep 27;13(12):1549-1564. | ||||
| REF 6 | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat Chem Biol. 2015 Jun;11(6):432-7. | ||||
| REF 7 | Crystal structure of the human PRMT5:MEP50 complex. Proc Natl Acad Sci U S A. 2012 Oct 30;109(44):17960-5. | ||||
| REF 8 | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5?MTA Complex for the Treatment of MTAP-Deleted Cancers. J Med Chem. 2022 Feb 10;65(3):1749-1766. | ||||
| REF 9 | A chemical probe for the methyl transferase PRMT5 with a novel | ||||
| REF 10 | Crystal structure of PRMT5/MEP50 complex with sinefungin and 15866 | ||||
| REF 11 | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J Med Chem. 2021 Apr 8;64(7):3911-3939. | ||||
| REF 12 | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors. ACS Med Chem Lett. 2019 May 22;10(7):1033-1038. | ||||
| REF 13 | Design and synthesis of unprecedented 9- and 10-membered cyclonucleosides with PRMT5 inhibitory activity. Bioorg Med Chem. 2022 Jul 15;66:116820. | ||||
| REF 14 | Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors. Bioorg Med Chem. 2022 Oct 1;71:116947. | ||||
| REF 15 | LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity. ACS Med Chem Lett. 2018 Apr 23;9(7):612-617. | ||||
| REF 16 | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). ACS Med Chem Lett. 2020 Aug 7;11(9):1688-1693. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.