Structure of PDB 7o20 Chain A Binding Site BS02

Receptor Information
>7o20 Chain A (length=466) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKN
HPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNG
VCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDD
GKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYT
NSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQK
CTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNAN
DWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPK
DIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPM
GTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANN
YGTLTKFTLVLYGTAS
Ligand information
Ligand IDUYT
InChIInChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+
InChIKeyMRKZNCISKCWGLP-KPKJPENVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=NNC(=[NH2+])N)c1ccccc1
OpenEye OEToolkits 2.0.7C/C(=N\NC(=[NH2+])N)/c1ccccc1
CACTVS 3.385CC(=NNC(N)=[NH2+])c1ccccc1
CACTVS 3.385C\C(=N/NC(N)=[NH2+])c1ccccc1
FormulaC9 H13 N4
Name[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium;
Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium;
7377553
ChEMBL
DrugBank
ZINC
PDB chain7o20 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7o20 OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S253 W254 G255 P256 E257 D258
Binding residue
(residue number reindexed from 1)		S144 W145 G146 P147 E148 D149
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.75: furin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7o20, PDBe:7o20, PDBj:7o20
PDBsum7o20
PubMed34415722
UniProtP09958|FURIN_HUMAN Furin (Gene Name=FURIN)

[Back to BioLiP]