We've built a new version of this page with an interactive 3D viewer. Try it out in beta and help us improve:

› 5voj

X-ray diffraction
1.8Å resolution

Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3

Released:
DOI: 10.2210/pdb5voj/pdb
Model geometry
Fit model/data
PDB entry 5voj coloured by chain, front view.
PDB entry 5voj coloured by chain, side view.
PDB entry 5voj coloured by chain, top view.
Source organism: hepatitis C virus genotype 1a
Primary publication:
Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
Matthew AN, Zephyr J, Hill CJ, Jahangir M, Newton A, Petropoulos CJ, Huang W, Kurt-Yilmaz N, Schiffer CA, Ali A
J Med Chem 60 5699-5716 (2017)
PMID: 28594175

Function and Biology Details

Reactions catalysed: 
RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate.
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 orAla in P1'.
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate+ phosphate + H(+).
ATP + H2O = ADP + phosphate + H(+).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protease NS2 Chain: A
Molecule details ›
Chain: A
Length: 203 amino acids
Theoretical weight: 21.5 KDa
Source organism: hepatitis C virus genotype 1a
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P26664 (Residues: 1013-1026, 1029-1208; Coverage: 6%)
Sequence domains: Hepatitis C virus NS3 protease
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 9H4 1 x 9H4
Ligand SO4 1 x SO4
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 55.365Å b: 58.6Å c: 59.904Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.16 0.193
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.
Matthew et al. (2021)
2 more

5 mentions without citation

Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
Matthew et al. (2017)
4 more

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO