Structure of PDB 5jbb Chain S Binding Site BS01

Receptor Information
>5jbb 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]
IVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINTYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPL
VDRATCLRSTKFTITNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIVSWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
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 chain5jbb Chain S Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jbb Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		E70 N72 E75 E77 E80
Binding residue
(residue number reindexed from 1)		E55 N57 E60 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:5jbb, PDBe:5jbb, PDBj:5jbb
PDBsum5jbb
PubMed27208168
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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