Structure of PDB 4tyd Chain E Binding Site BS02

Receptor Information

>4tyd Chain E (length=190) Species: 11104 (Hepatitis C virus (isolate 1))

APITAYSQQTRGLLGCIITSLTGRDRNQVEGEVQVVSTATQSFLATCVNG
VCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHA
VGIFRAAVCTRGVAKAVDFVPVESMETKGSVVIVGRIILS

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: 4tyd Chain E Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4tyd Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.
• Resolution: 2.84 Å
• Binding residue (original residue number in PDB): C97 C99 C145
• Binding residue (residue number reindexed from 1): C97 C99 C145
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 S139
• Catalytic site (residue number reindexed from 1): H57 D81 G137 S139
• Enzyme Commision number: 3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0008233 peptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0019062 virion attachment to host cell
• GO:0019087 transformation of host cell by virus
• GO:0046718 symbiont entry into host cell

Cellular Component

• GO:0016020 membrane
• GO:0033644 host cell membrane
• GO:0044423 virion component

External links

• PDB: RCSB:4tyd, PDBe:4tyd, PDBj:4tyd
• PDBsum: 4tyd
• PubMed: 25155387
• UniProt: Q0ZNA6