Structure of PDB 5epy Chain A Binding Site BS01

Receptor Information

>5epy Chain A (length=198)

HMASMKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEG
EVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKD
LVGWQAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRP
ISYLKGSAGGPLLCPAGHAVGIFRTAVSTRGVAKAVDFIPVESLETTM

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: 5epy Chain A Residue 1201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5epy Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C1097 C1099 C1145 H1149
• Binding residue (residue number reindexed from 1): C116 C118 C164 H168
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H1057 D1081 G1137 A1139
• Catalytic site (residue number reindexed from 1): H76 D100 G156 A158
• 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:5epy, PDBe:5epy, PDBj:5epy
• PDBsum: 5epy
• PubMed: 26682473
• UniProt: C1KIK8