Structure of PDB 7d5l Chain D Binding Site BS01

Receptor Information

>7d5l Chain D (length=193)

KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGEVQIVST
ATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDLVGWQAP
QGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGS
SGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVESLETTMRS

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: 7d5l Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7d5l Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): C197 C199 C245
• Binding residue (residue number reindexed from 1): C109 C111 C157
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H157 D181 G237 S239
• Catalytic site (residue number reindexed from 1): H69 D93 G149 S151
• 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:7d5l, PDBe:7d5l, PDBj:7d5l
• PDBsum: 7d5l
• PubMed: 33226226
• UniProt: A0A0B4WYC6