Structure of PDB 3f6u Chain H Binding Site BS03

Receptor Information
>3f6u Chain H (length=240) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIDGKMTRRGDSPWQVVLLDSKKKLACGAVLIHPSWVLTAAHCMDESKKL
LVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKSTTDNDIALLHLAQPATL
SQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRTFVLN
FIKIPVVPHNECSEVMSNMVSENMLCAGILGDRQDACEGDSGGPMVASFH
GTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRD
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 chain3f6u Chain H Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f6u Thermodynamic linkage between the S1 site, the Na+ site, and the Ca2+ site in the protease domain of human activated protein C (APC).
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E70 D72 R75 E80
Binding residue
(residue number reindexed from 1)		E56 D58 R61 E66
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G193 S195 G196
Catalytic site (residue number reindexed from 1) G189 S191 G192
Enzyme Commision number 3.4.21.69: protein C (activated).
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:3f6u, PDBe:3f6u, PDBj:3f6u
PDBsum3f6u
PubMed12029084
UniProtP04070|PROC_HUMAN Vitamin K-dependent protein C (Gene Name=PROC)

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