› 4gye

X-ray diffraction
2.27Å resolution

MDR 769 HIV-1 Protease in Complex with Reduced P1F

Released:
DOI: 10.2210/pdb4gye/pdb
PDB entry 4gye coloured by chain, front view.
PDB entry 4gye coloured by chain, side view.
PDB entry 4gye coloured by chain, top view.
Source organisms:
Primary publication:
Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Dewdney TG, Wang Y, Liu Z, Sharma SK, Reiter SJ, Brunzelle JS, Kovari IA, Woster PM, Kovari LC
Bioorg Med Chem 21 7430-4 (2013)
PMID: 24128815

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164520 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidase A2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.77 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9QM22 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases
P1F peptide Chain: C
Molecule details ›
Chain: C
Length: 6 amino acids
Theoretical weight: 868 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand NLE 1 x NLE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P61
Unit cell:
a: 62.255Å b: 62.255Å c: 83.92Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.196 0.193 0.264
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 citations in other articles

Conformational variation of an extreme drug resistant mutant of HIV protease.
Shen et al. (2015)