› 6dgz

X-ray diffraction
1.99Å resolution

Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass6

Released:
DOI: 10.2210/pdb6dgz/pdb
PDB entry 6dgz coloured by chain, front view.
PDB entry 6dgz coloured by chain, side view.
PDB entry 6dgz coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Ali A, Yilmaz NK, Schiffer CA
ACS Infect Dis 5 316-325 (2019)
PMID: 30543749

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-182324 (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: Q7ZCR0 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand SO4 1 x SO4
Ligand A60 1 x A60
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 51.233Å b: 58.242Å c: 62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.228
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

1 mention without citation

Selection of HIV-1 for resistance to fifth-generation protease inhibitors reveals two independent pathways to high-level resistance.
Spielvogel et al. (2023)