Structure of PDB 5vp9 Chain A Binding Site BS02

Receptor Information

>5vp9 Chain A (length=198)

MASMKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGE
VQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDL
VGWQAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPI
SYLKGSSGGPLLCPAGHAVGIFRAAVSTRGVAKAVDFIPVESLETTMR

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: 5vp9 Chain A Residue 1203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vp9 Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
• Resolution: 1.859 Å
• Binding residue (original residue number in PDB): C1097 C1099 C1145 H1149
• Binding residue (residue number reindexed from 1): C115 C117 C163 H167
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H1057 D1081 G1137 S1139
• Catalytic site (residue number reindexed from 1): H75 D99 G155 S157
• 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:5vp9, PDBe:5vp9, PDBj:5vp9
• PDBsum: 5vp9
• PubMed: 28594175
• UniProt: P26664|POLG_HCV1 Genome polyprotein