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 | [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C=[NH+]N=C(N)N)C=[NH+]N=C(N)N | ||||
| InChI | 1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+ | ||||
| InChIKey | DJQYBCUFGZTQSR-IAGONARPSA-P | ||||
| PubChem Compound ID | 5539535 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7O1Y X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
YQEPTDPKFP
119 QQWYLSGVTQ129 RDLNVKAAWA139 QGYTGHGIVV149 SILDDGIEKN159 HPDLAGNYDP 169 GASFDVNDQD179 PDPQPRYTQM189 NDNRHGTRCA199 GEVAAVANNG209 VCGVGVAYNA 219 RIGGVRMLDG229 EVTDAVEARS239 LGLNPNHIHI249 YSASWGPEDD259 GKTVDGPARL 269 AEEAFFRGVS279 QGRGGLGSIF289 VWASGNGGRE299 HDSCNCDGYT309 NSIYTLSISS 319 ATQFGNVPWY329 SEACSSTLAT339 TYSSGNQNEK349 QIVTTDLRQK359 CTESHTGTSA 369 SAPLAAGIIA379 LTLEANKNLT389 WRDMQHLVVQ399 TSKPAHLNAN409 DWATNGVGRK 419 VSHSYGYGLL429 DAGAMVALAQ439 NWTTVAPQRK449 CIIDILTEPK459 DIGKRLEVRK 469 TVTACLGEPN479 HITRLEHAQA489 RLTLSYNRRG499 DLAIHLVSPM509 GTRSTLLAAR 519 PHDYSADGFN529 DWAFMTTHSW539 DEDPSGEWVL549 EIENTSEANN559 YGTLTKFTLV 569 LYGTAS
|
|||||
|
|
ASP153
2.068
ASP154
1.743
ASP191
2.424
ASN192
2.663
ARG193
4.180
HIS194
2.320
GLY195
4.169
MET226
4.429
LEU227
2.205
ASP228
3.723
GLY229
4.462
VAL231
2.348
GLU236
2.115
SER253
2.022
TRP254
2.272
GLY255
2.572
PRO256
1.898
GLU257
2.594
|
|||||
| PDB ID: 7O1W X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1 M NaCl | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
YQEPTDPKFP
119 QQWYLSGVTQ129 RDLNVKAAWA139 QGYTGHGIVV149 SILDDGIEKN159 HPDLAGNYDP 169 GASFDVNDQD179 PDPQPRYTQM189 NDNRHGTRCA199 GEVAAVANNG209 VCGVGVAYNA 219 RIGGVRMLDG229 EVTDAVEARS239 LGLNPNHIHI249 YSASWGPEDD259 GKTVDGPARL 269 AEEAFFRGVS279 QGRGGLGSIF289 VWASGNGGRE299 HDSCNCDGYT309 NSIYTLSISS 319 ATQFGNVPWY329 SEACSSTLAT339 TYSSGNQNEK349 QIVTTDLRQK359 CTESHTGTSA 369 SAPLAAGIIA379 LTLEANKNLT389 WRDMQHLVVQ399 TSKPAHLNAN409 DWATNGVGRK 419 VSHSYGYGLL429 DAGAMVALAQ439 NWTTVAPQRK449 CIIDILTEPK459 DIGKRLEVRK 469 TVTACLGEPN479 HITRLEHAQA489 RLTLSYNRRG499 DLAIHLVSPM509 GTRSTLLAAR 519 PHDYSADGFN529 DWAFMTTHSW539 DEDPSGEWVL549 EIENTSEANN559 YGTLTKFTLV 569 LYGTASGSLV579 PR
|
|||||
|
|
ASP153
2.121
ASP154
1.679
ASP191
2.608
ASN192
2.593
ARG193
4.183
HIS194
2.258
GLY195
4.088
MET226
4.233
LEU227
2.113
ASP228
3.654
GLY229
4.598
VAL231
2.278
GLU236
2.031
SER253
1.987
TRP254
2.192
GLY255
2.457
PRO256
1.925
GLU257
2.977
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | OFF-State-Specific Inhibition of the Proprotein Convertase Furin. ACS Chem Biol. 2021 Sep 17;16(9):1692-1700. | ||||
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