› 3rvb

X-ray diffraction
2.2Å resolution

The structure of HCV NS3 helicase (Heli-80) bound with inhibitor ITMN-3479

Released:
DOI: 10.2210/pdb3rvb/pdb
PDB entry 3rvb coloured by chain, front view.
PDB entry 3rvb coloured by chain, side view.
PDB entry 3rvb coloured by chain, top view.
Source organism: Hepacivirus hominis
Entry authors: Mather O, Cheng R, Schonfield D, Barker J

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150815 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease/helicase NS3 Chain: A
Molecule details ›
Chain: A
Length: 493 amino acids
Theoretical weight: 52.81 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli
UniProt:
  • Canonical: P26663 (Residues: 1186-1658; Coverage: 16%)
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand I79 1 x I79
Ligand MG 2 x MG
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P3121
Unit cell:
a: 92.354Å b: 92.354Å c: 104.462Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.227 0.224 0.287
Expression system: Escherichia coli

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