Structure of PDB 1p8j Chain B Binding Site BS03

Receptor Information
>1p8j Chain B (length=468) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYQEPTDPKFPQQWYLSGVTQRDLNVKEAWAQGFTGHGIVVSILDDGIEK
NHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANN
GVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPED
DGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGY
TNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQ
KCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNA
DDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIVEILVEP
KDIGKRLEVRKAVTACLGEPNHITRLEHVQARLTLSYNRRGDLAIHLISP
MGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPAGEWVLEIENTSEAN
NYGTLTKFTLVLYGTAPE
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 chain1p8j Chain B Residue 3003 [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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PDB1p8j The Crystal Structure of the Proprotein Processing Proteinase Furin Explains its Stringent Specificity
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D115 D162 V205 N208 V210 G212
Binding residue
(residue number reindexed from 1)		D7 D54 V97 N100 V102 G104
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D153 H194
Catalytic site (residue number reindexed from 1) D45 H86
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:1p8j, PDBe:1p8j, PDBj:1p8j
PDBsum1p8j
PubMed12794637
UniProtP23188|FURIN_MOUSE Furin (Gene Name=Furin)

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