Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76723 | Target Info | |||
| Target Name | Protein arginine methyltransferase 3 (PRMT3) | ||||
| Synonyms | Protein arginine N-methyltransferase 3; Heterogeneous nuclear ribonucleoprotein methyltransferase-like protein 3; HRMT1L3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PRMT3 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PMID22795084C1 | Ligand Info | |||||
| Structure Description | Crystal structure of protein arginine methyltransferase 3 | PDB:3SMQ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
HYGIHEEMLK
252 DKIRTESYRD262 FIYQNPHIFK272 DKVVLDVGCG282 TGILSMFAAK292 AGAKKVLGVD 302 QSEILYQAMD312 IIRLNKLEDT322 ITLIKGKIEE332 VHLPVEKVDV342 IISEWMGYFL 352 LFESMLDSVL362 YAKNKYLAKG372 GSVYPDICTI382 SLVAVSDVNK392 HADRIAFWDD 402 VYGFKMSCMK412 KAVIPEAVVE422 VLDPKTLISE432 PCGIKHIDCH442 TTSISDLEFS 452 SDFTLKITRT462 SMCTAIAGYF472 DIYFEKNCHN482 RVVFSTGPQS492 TKTHWKQTVF 502 LLEKPFSVKA512 GEALKGKVTV522 HKSLTVTLTL538 NNSTQTYGL
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| Ligand Name: SGC707 | Ligand Info | |||||
| Structure Description | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | PDB:4RYL | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
HYGIHEEMLK
252 DKIRTESYRD262 FIYQNPHIFK272 DKVVLDVGCG282 TGILSMFAAK292 AGAKKVLGVD 302 QSEILYQAMD312 IIRLNKLEDT322 ITLIKGKIEE332 VHLPVEKVDV342 IISEWMGYFL 352 LFESMLDSVL362 YAKNKYLAKG372 GSVYPDICTI382 SLVAVSDVNK392 HADRIAFWDD 402 VYGFKMSCMK412 KAVIPEAVVE422 VLDPKTLISE432 PCGIKHIDCH442 TTSISDLEFS 452 SDFTLKITRT462 SMCTAIAGYF472 DIYFEKNCHN482 RVVFSTGPQS492 TKTHWKQTVF 502 LLEKPFSVKA512 GEALKGKVTV522 HKSLTVTLTL538 NNSTQTYGLQ548 |
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| Ligand Name: 1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-Isoquinolin-6-Ylurea | Ligand Info | |||||
| Structure Description | Protein arginine methyltransferase 3 in complex with compound MTV044246 | PDB:4QQN | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [3] |
| PDB Sequence |
YGIHEEMLKD
253 KIRTESYRDF263 IYQNPHIFKD273 KVVLDVGCGT283 GILSMFAAKA293 GAKKVLGVDQ 303 SEILYQAMDI313 IRLNKLEDTI323 TLIKGKIEEV333 HLPVEKVDVI343 ISEWMGYFLL 353 FESMLDSVLY363 AKNKYLAKGG373 SVYPDICTIS383 LVAVSDVNKH393 ADRIAFWDDV 403 YGFKMSCMKK413 AVIPEAVVEV423 LDPKTLISEP433 CGIKHIDCHT443 TSISDLEFSS 453 DFTLKITRTS463 MCTAIAGYFD473 IYFEKNCHNR483 VVFSTGPQST493 KTHWKQTVFL 503 LEKPFSVKAG513 EALKGKVTVH523 KNSLTVTLTL538 NNSTQTYGL
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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 .3BQ or .3BQ2 or .3BQ3 or :33BQ;style chemicals stick;color identity;select .A:387 or .A:389 or .A:392 or .A:393 or .A:396 or .A:420 or .A:422 or .A:424 or .A:466 or .A:467 or .A:501 or .A:503; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(1,2,3-Benzothiadiazol-6-Yl)-3-(2-Oxo-2-Phenylethyl)urea | Ligand Info | |||||
| Structure Description | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | PDB:4HSG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
YGIHEEMLKD
253 KIRTESYRDF263 IYQNPHIFKD273 KVVLDVGCGT283 GILSMFAAKA293 GAKKVLGVDQ 303 SEILYQAMDI313 IRLNKLEDTI323 TLIKGKIEEV333 HLPVEKVDVI343 ISEWMGYFLL 353 FESMLDSVLY363 AKNKYLAKGG373 SVYPDICTIS383 LVAVSDVNKH393 ADRIAFWDDV 403 YGFKMSCMKK413 AVIPEAVVEV423 LDPKTLISEP433 CGIKHIDCHT443 TSISDLEFSS 453 DFTLKITRTS463 MCTAIAGYFD473 IYFEKNCHNR483 VVFSTGPQST493 KTHWKQTVFL 503 LEKPFSVKAG513 EALKGKVTVH523 KSLTVTLTLN539 NSTQTYGL
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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 .KTD or .KTD2 or .KTD3 or :3KTD;style chemicals stick;color identity;select .A:387 or .A:389 or .A:392 or .A:393 or .A:396 or .A:420 or .A:422 or .A:424 or .A:466 or .A:467 or .A:501 or .A:503; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An allosteric inhibitor of protein arginine methyltransferase 3. Structure. 2012 Aug 8;20(8):1425-35. | ||||
| REF 2 | A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase (PRMT3). Angew Chem Int Ed Engl. 2015 Apr 20;54(17):5166-70. | ||||
| REF 3 | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J Med Chem. 2018 Feb 8;61(3):1204-1217. | ||||
| REF 4 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. J Med Chem. 2013 Mar 14;56(5):2110-24. | ||||
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