› 2wrm

X-ray diffraction
1.95Å resolution

Identification of Novel Allosteric Inhibitors of Hepatitis C Virus NS5B Polymerase Thumb Domain (Site II) by Structure-Based Design

Released:
DOI: 10.2210/pdb2wrm/pdb
PDB entry 2wrm coloured by chain, front view.
PDB entry 2wrm coloured by chain, side view.
PDB entry 2wrm coloured by chain, top view.
Source organism: Hepacivirus hominis
Entry author: Di Marco S

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:
RNA-directed RNA polymerase Chain: A
Molecule details ›
Chain: A
Length: 536 amino acids
Theoretical weight: 59.64 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P26663 (Residues: 2420-2955; Coverage: 18%)
Sequence domains: Viral RNA dependent RNA polymerase
Structure domains: Alpha-Beta Plaits

Ligands and Environments

1 bound ligand:
Ligand QQ3 3 x QQ3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P21212
Unit cell:
a: 66.764Å b: 96.175Å c: 95.683Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.244
Expression system: Escherichia coli BL21(DE3)

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