› 7l7l

X-ray diffraction
1.88Å resolution

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: 200 amino acids
Theoretical weight: 21.22 KDa
Source organism: Hepacivirus hominis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0B4WYC6 (Residues: 4-181; Coverage: 98%)
Sequence domains: Hepatitis C virus NS3 protease

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand EDO 3 x EDO
Ligand XSS 1 x XSS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 54.856Å b: 58.773Å c: 59.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.166 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 citation in other articles

Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Shaqra et al. (2022)
2 more

2 mentions without citation

Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
Nageswara Rao et al. (2021)
1 more