Structure of PDB 1a1r Chain B Binding Site BS03

Receptor Information
>1a1r Chain B (length=179) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGV
CWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGS
SDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPTGHAV
GLFRAAVCTRGVAKAVDFIPVENLETTMR
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 chain1a1r Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a1r Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C123 C125 C171
Binding residue
(residue number reindexed from 1)		C96 C98 C144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H83 D107 G163 S165
Catalytic site (residue number reindexed from 1) H56 D80 G136 S138
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:1a1r, PDBe:1a1r, PDBj:1a1r
PDBsum1a1r
PubMed8861917
UniProtP27958|POLG_HCV77 Genome polyprotein

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