› 4rvi

X-ray diffraction
1.99Å resolution

Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519

Released:
DOI: 10.2210/pdb4rvi/pdb
PDB entry 4rvi coloured by chain, front view.
PDB entry 4rvi coloured by chain, side view.
PDB entry 4rvi coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Entry authors: Yedidi RS, Garimella H, Kaufman JD, Das D, Wingfield PT, Ghosh AK, Mitsuya H

Function and Biology Details

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-191565 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 99 amino acids
Theoretical weight: 10.84 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • 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:
Ligand G52 2 x G52
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 58.96Å b: 64.73Å c: 100.74Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.231 0.277
Expression system: Escherichia coli

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