Structure of PDB 3f6u Chain H Binding Site BS02

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 IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain3f6u Chain H Residue 245 [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)		I184A L185 D186A N224
Binding residue
(residue number reindexed from 1)		I179 L180 D182 N220
Annotation score3
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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