Structure of PDB 2oin Chain B Binding Site BS03

Receptor Information

>2oin Chain B (length=181)

APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCING
VCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHA
VGLFKAAVCTRGVAKAVDFIPVENLETTMRS

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2oin Chain B Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2oin Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): C1123 C1125
• Binding residue (residue number reindexed from 1): C97 C99
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H1083 D1107 G1163 S1165
• Catalytic site (residue number reindexed from 1): H57 D81 G137 S139
• 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

External links

• PDB: RCSB:2oin, PDBe:2oin, PDBj:2oin
• PDBsum: 2oin
• PubMed: 17556358
• UniProt: P27958|POLG_HCV77 Genome polyprotein