› 2qhc

X-ray diffraction
2.8Å resolution

The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir

Released:
DOI: 10.2210/pdb2qhc/pdb
PDB entry 2qhc coloured by chain, front view.
PDB entry 2qhc coloured by chain, side view.
PDB entry 2qhc coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Sasková KG, Kozísek M, Lepsík M, Brynda J, Rezácová P, Václavíková J, Kagan RM, Machala L, Konvalinka J
Protein Sci 17 1555-64 (2008)
PMID: 18560011

Function and Biology Details

Reaction catalysed: 
Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro.
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-191570 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.76 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9J2P7 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand BME 2 x BME
Ligand AB1 1 x AB1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P61
Unit cell:
a: 62.576Å b: 62.576Å c: 81.934Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.191 0.228
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

2 mentions without citation

Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Sasková et al. (2008)
1 more