Structure of PDB 2wpm Chain S Binding Site BS02

Receptor Information
>2wpm Chain S (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNFNAAINTYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRAALVLQYLRVPL
VDRATCLRSTKFTITNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
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 chain2wpm Chain S Residue 1246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wpm Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E70 N72 E75 T76 E77 E80
Binding residue
(residue number reindexed from 1)		E55 N57 E60 T61 E62 E65
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.22: coagulation factor IXa.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2wpm, PDBe:2wpm, PDBj:2wpm
PDBsum2wpm
PubMed20004170
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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