› 5t2z

X-ray diffraction
1.5Å resolution

Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with Darunavir

Released:
DOI: 10.2210/pdb5t2z/pdb
PDB entry 5t2z coloured by chain, front view.
PDB entry 5t2z coloured by chain, side view.
PDB entry 5t2z coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics.
Agniswamy J, Louis JM, Roche J, Harrison RW, Weber IT
OpenAccess logo PLoS One 11 e0168616 (2016)
PMID: 27992544

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
Molecule details ›
Chains: A, B
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
Structure domains: Acid Proteases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P61
Unit cell:
a: 62.851Å b: 62.851Å c: 82.961Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.145 0.142 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

HIV Protease: Historical Perspective and Current Research.
Weber et al. (2021)
1 more

5 mentions without citation

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