Structure of PDB 5jmo Chain B Binding Site BS02

Receptor Information
>5jmo Chain B (length=471) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIE
KNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVAN
NGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPE
DDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDG
YTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLR
QKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLN
ANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTE
PKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVS
PMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEA
NNYGTLTKFTLVLYGTASGSL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5jmo Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5jmo The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Resolution1.998 Å
Binding residue
(original residue number in PDB)		D174 D179 D181
Binding residue
(residue number reindexed from 1)		D67 D72 D74
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S150 D191
Catalytic site (residue number reindexed from 1) S43 D84
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
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Biological Process
External links
PDB RCSB:5jmo, PDBe:5jmo, PDBj:5jmo
PDBsum5jmo
PubMed27670069
UniProtP09958|FURIN_HUMAN Furin (Gene Name=FURIN)

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