X-ray diffraction
1.96Å resolution

Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079

Entry authors: Yedidi RS, Garimella H, Kaufman JD, Das D, Wingfield PT, Ghosh AK, Mitsuya H

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Peptidase A2 domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 99 amino acids
Theoretical weight: 10.86 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
  • Canonical: Q9J006 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 53.789Å b: 89.008Å c: 56.513Å
α: 90° β: 112.98° γ: 90°
R R work R free
0.192 0.19 0.232
Expression system: Escherichia coli