› 4yoa

X-ray diffraction
1.7Å resolution

Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir

Released:
DOI: 10.2210/pdb4yoa/pdb
PDB 4yoa coloured by chain and viewed from the front.
PDB 4yoa coloured by chain and viewed from the side.
PDB 4yoa coloured by chain and viewed from the top.
Source organism: Human immunodeficiency virus 1
Primary publication:
The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops.
Kuiper BD, Keusch BJ, Dewdney TG, Chordia P, Ross K, Brunzelle JS, Kovari IA, MacArthur R, Salimnia H, Kovari LC
OpenAccess logo Biochem Biophys Rep 2 160-165 (2015)
PMID: 29124158

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase A2 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 99 amino acids
Theoretical weight: 10.8 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5RTL1 (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 21-ID-D
Spacegroup: P41212
Unit cell:
a: 45.47Å b: 45.47Å c: 102.22Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.19 0.225
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Increased activity of unlinked Zika virus NS2B/NS3 protease compared to linked Zika virus protease.
Kuiper et al. (2017)
3 more