Structure of PDB 6p6r Chain A Binding Site BS01

Receptor Information
>6p6r Chain A (length=201) Species: 11104 (Hepatitis C virus (isolate 1)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMASMKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVE
GEVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDK
DLVGWQAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSTGSLLSPR
PLSYLKGSSGGPLLCPAGHAVGIFRAAVSTRGVAKAVQFIPVESLETTMR
S
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6p6r Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p6r Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
Resolution1.749 Å
Binding residue
(original residue number in PDB)		C1097 C1099 C1145 H1149
Binding residue
(residue number reindexed from 1)		C117 C119 C165 H169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.21.98: hepacivirin.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019087 transformation of host cell by virus

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Molecular Function
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Biological Process
External links
PDB RCSB:6p6r, PDBe:6p6r, PDBj:6p6r
PDBsum6p6r
PubMed
UniProtP26664|POLG_HCV1 Genome polyprotein

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