› 1zp8

X-ray diffraction
2.02Å resolution

HIV Protease with inhibitor AB-2

Released:
DOI: 10.2210/pdb1zp8/pdb
PDB entry 1zp8 coloured by chain, front view.
PDB entry 1zp8 coloured by chain, side view.
PDB entry 1zp8 coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors.
Brik A, Alexandratos J, Lin YC, Elder JH, Olson AJ, Wlodawer A, Goodsell DS, Wong CH
Chembiochem 6 1167-9 (2005)
PMID: 15934050

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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131646 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 99 amino acids
Theoretical weight: 10.8 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: O92139 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand AB2 1 x AB2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P6122
Unit cell:
a: 63.1Å b: 63.1Å c: 82.1Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.196 0.197 0.326
Expression system: Escherichia coli

Quick links

Citations

20 review citations

Click chemistry reactions in medicinal chemistry: applications of the 1,3-dipolar cycloaddition between azides and alkynes.
Tron et al. (2008)
19 more

7 mentions without citation

A copper(I)-catalyzed 1,2,3-triazole azide-alkyne click compound is a potent inhibitor of a multidrug-resistant HIV-1 protease variant.
Giffin et al. (2008)
6 more