› 6o5x

X-ray diffraction
1.7Å resolution

Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2

Released:
DOI: 10.2210/pdb6o5x/pdb
PDB entry 6o5x coloured by chain, front view.
PDB entry 6o5x coloured by chain, side view.
PDB entry 6o5x coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Agniswamy J, Kneller DW, Brothers R, Wang YF, Harrison RW, Weber IT
ACS Omega 4 8707-8719 (2019)
PMID: 31172041

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-125232 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 99 amino acids
Theoretical weight: 10.79 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: I7BFC3 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Sequence domains: Retroviral aspartyl protease

Ligands and Environments

3 bound ligands:
Ligand CL 12 x CL
Ligand 0Q4 2 x 0Q4
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 53.704Å b: 60.358Å c: 66.476Å
α: 90° β: 90.93° γ: 90°
R-values:
R R work R free
0.178 0.176 0.212
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

HIV Protease: Historical Perspective and Current Research.
Weber et al. (2021)
10 other articles

2 mentions without citation

Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Agniswamy et al. (2019)
1 more