Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98945 | Target Info | |||
| Target Name | HUMAN dibasic-processing enzyme (Furin) | ||||
| Synonyms | Paired basic amino acid residuecleaving enzyme; Paired basic amino acid residue-cleaving enzyme; PCSK3; PACE; FUR; Dibasicprocessing enzyme | ||||
| Gene Name | FURIN | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-tert-Leucine | Ligand Info | |||
| Canonical SMILES | CC(C)(C)C(C(=O)O)N | ||||
| InChI | 1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1 | ||||
| InChIKey | NPDBDJFLKKQMCM-SCSAIBSYSA-N | ||||
| PubChem Compound ID | 164608 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6HZC X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-BVK-Lys-Arg-Arg-Tle-Lys]-4-Amba | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
VYQEPTDPKF
118 PQQWYLSGVT128 QRDLNVKAAW138 AQGYTGHGIV148 VSILDDGIEK158 NHPDLAGNYD 168 PGASFDVNDQ178 DPDPQPRYTQ188 MNDNRHGTRC198 AGEVAAVANN208 GVCGVGVAYN 218 ARIGGVRMLD228 GEVTDAVEAR238 SLGLNPNHIH248 IYSASWGPED258 DGKTVDGPAR 268 LAEEAFFRGV278 SQGRGGLGSI288 FVWASGNGGR298 EHDSCNCDGY308 TNSIYTLSIS 318 SATQFGNVPW328 YSEACSSTLA338 TTYSSGNQNE348 KQIVTTDLRQ358 KCTESHTGTS 368 ASAPLAAGII378 ALTLEANKNL388 TWRDMQHLVV398 QTSKPAHLNA408 NDWATNGVGR 418 KVSHSYGYGL428 LDAGAMVALA438 QNWTTVAPQR448 KCIIDILTEP458 KDIGKRLEVR 468 KTVTACLGEP478 NHITRLEHAQ488 ARLTLSYNRR498 GDLAIHLVSP508 MGTRSTLLAA 518 RPHDYSADGF528 NDWAFMTTHS538 WDEDPSGEWV548 LEIENTSEAN558 NYGTLTKFTL 568 VLYGTASGSL578 VPR
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| PDB ID: 6HLE X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [1] |
| PDB Sequence |
VYQEPTDPKF
118 PQQWYLSGVT128 QRDLNVKAAW138 AQGYTGHGIV148 VSILDDGIEK158 NHPDLAGNYD 168 PGASFDVNDQ178 DPDPQPRYTQ188 MNDNRHGTRC198 AGEVAAVANN208 GVCGVGVAYN 218 ARIGGVRMLD228 GEVTDAVEAR238 SLGLNPNHIH248 IYSASWGPED258 DGKTVDGPAR 268 LAEEAFFRGV278 SQGRGGLGSI288 FVWASGNGGR298 EHDSCNCDGY308 TNSIYTLSIS 318 SATQFGNVPW328 YSEACSSTLA338 TTYSSGNQNE348 KQIVTTDLRQ358 KCTESHTGTS 368 ASAPLAAGII378 ALTLEANKNL388 TWRDMQHLVV398 QTSKPAHLNA408 NDWATNGVGR 418 KVSHSYGYGL428 LDAGAMVALA438 QNWTTVAPQR448 KCIIDILTEP458 KDIGKRLEVR 468 KTVTACLGEP478 NHITRLEHAQ488 ARLTLSYNRR498 GDLAIHLVSP508 MGTRSTLLAA 518 RPHDYSADGF528 NDWAFMTTHS538 WDEDPSGEWV548 LEIENTSEAN558 NYGTLTKFTL 568 VLYGTASGSL578 VPR
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. ChemMedChem. 2019 Mar 22;14(6):673-685. | ||||
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