› 6opu

X-ray diffraction
1.94Å resolution

HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir

Released:
DOI: 10.2210/pdb6opu/pdb
PDB entry 6opu coloured by chain, front view.
PDB entry 6opu coloured by chain, side view.
PDB entry 6opu coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Henes M, Lockbaum GJ, Kosovrasti K, Leidner F, Nachum GS, Nalivaika EA, Lee SK, Spielvogel E, Zhou S, Swanstrom R, Bolon DNA, Kurt Yilmaz N, Schiffer CA
ACS Chem Biol 14 2441-2452 (2019)
PMID: 31361460

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-182323 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.83 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7ZCI0 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease

Ligands and Environments

1 bound ligand:
Ligand 017 1 x 017
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P61
Unit cell:
a: 61.497Å b: 61.497Å c: 81.319Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.209 0.205 0.232
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.
Matthew et al. (2021)
1 more