2a4q

X-ray diffraction
2.45Å resolution

HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.

Released:
Model geometry
Fit model/data

Function and Biology Details

Reaction catalysed:
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-128773 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidase S29 domain-containing protein Chains: A, C
Molecule details ›
Chains: A, C
Length: 200 amino acids
Theoretical weight: 21.23 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q91RS4 (Residues: 1-181; Coverage: 100%)
Sequence domains: Hepatitis C virus NS3 protease
Structure domains:
Hepatitis C virus Non-structural protein NS4a domain-containing protein Chains: B, D
Molecule details ›
Chains: B, D
Length: 23 amino acids
Theoretical weight: 2.39 KDa
Source organism: Hepacivirus hominis
Expression system: Not provided
UniProt:
  • Canonical: O39914 (Residues: 4-24; Coverage: 24%)
Gene name: NS4a/b
Sequence domains: Hepatitis C virus non-structural protein NS4a

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: R32
Unit cell:
a: 224.923Å b: 224.923Å c: 75.317Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.191 0.274
Expression systems:
  • Escherichia coli
  • Not provided