› 2hb4

X-ray diffraction
2.15Å resolution

Structure of HIV Protease NL4-3 in an Unliganded State

Released:
DOI: 10.2210/pdb2hb4/pdb
PDB entry 2hb4 coloured by chain, front view.
PDB entry 2hb4 coloured by chain, side view.
PDB entry 2hb4 coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Conformational flexibility in the flap domains of ligand-free HIV protease.
Heaslet H, Rosenfeld R, Giffin M, Lin YC, Tam K, Torbett BE, Elder JH, McRee DE, Stout CD
Acta Crystallogr D Biol Crystallogr 63 866-75 (2007)
PMID: 17642513

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-187446 (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: 10.83 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q903N5 (Residues: 1-99; Coverage: 100%)
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand PGR 3 x PGR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P41212
Unit cell:
a: 48.985Å b: 48.985Å c: 105.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.234 0.321
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS.
Ghosh et al. (2016)
4 more

8 mentions without citation

Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations.
Raman et al. (2011)
7 more