3ao1

X-ray diffraction
1.9Å resolution

Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase

Released:

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
POL polyprotein Chains: A, B
Molecule details ›
Chains: A, B
Length: 163 amino acids
Theoretical weight: 17.8 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q72498 (Residues: 765-927; Coverage: 16%)
Gene name: pol
Sequence domains: Integrase core domain
Structure domains: Ribonuclease H-like superfamily/Ribonuclease H

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 60.587Å b: 61.997Å c: 81.765Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.216 0.268
Expression system: Escherichia coli