› 3rc6

X-ray diffraction
1.3Å resolution

Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease

Released:
DOI: 10.2210/pdb3rc6/pdb
PDB entry 3rc6 coloured by chain, front view.
PDB entry 3rc6 coloured by chain, side view.
PDB entry 3rc6 coloured by chain, top view.
Source organism: hepatitis C virus genotype 1a
Primary publication:
Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease.
Romano KP, Laine JM, Deveau LM, Cao H, Massi F, Schiffer CA
J Virol 85 6106-16 (2011)
PMID: 21507982

Function and Biology Details

Reactions catalysed: 
Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'.
NTP + H(2)O = NDP + phosphate
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108606 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NS3/4A Chain: A
Molecule details ›
Chain: A
Length: 203 amino acids
Theoretical weight: 21.49 KDa
Source organism: hepatitis C virus genotype 1a
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A8DG50 (Residues: 1013-1017, 1018-1208; Coverage: 7%)
Sequence domains: Hepatitis C virus NS3 protease
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 54.85Å b: 58.581Å c: 60.901Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.191
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Direct-acting antiviral agents for hepatitis C: structural and mechanistic insights.
Götte et al. (2016)
2 more

2 mentions without citation

Structural analysis of asunaprevir resistance in HCV NS3/4A protease.
Soumana et al. (2014)
1 more