› 6diu

X-ray diffraction
1.87Å resolution

Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)

Released:
DOI: 10.2210/pdb6diu/pdb
PDB entry 6diu coloured by chain, front view.
PDB entry 6diu coloured by chain, side view.
PDB entry 6diu coloured by chain, top view.
Source organism: Hepacivirus hominis
Entry authors: Matthew AN, Schiffer CA

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100993 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase S29 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 199 amino acids
Theoretical weight: 21.18 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0B4WYC6 (Residues: 4-180; Coverage: 97%)
Sequence domains: Hepatitis C virus NS3 protease

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand SO4 4 x SO4
Ligand GKM 1 x GKM
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 55.085Å b: 59.633Å c: 58.462Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.182 0.233
Expression system: Escherichia coli BL21(DE3)

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