› 3m9f

X-ray diffraction
1.8Å resolution

HIV protease complexed with compound 10b

Released:
DOI: 10.2210/pdb3m9f/pdb
PDB entry 3m9f coloured by chain, front view.
PDB entry 3m9f coloured by chain, side view.
PDB entry 3m9f coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.
Jones KL, Holloway MK, Su HP, Carroll SS, Burlein C, Touch S, DiStefano DJ, Sanchez RI, Williams TM, Vacca JP, Coburn CA
Bioorg Med Chem Lett 20 4065-8 (2010)
PMID: 20547452

Function and Biology Details

Reaction catalysed: 
Endonucleolytic cleavage to 5'-phosphomonoester.
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-194352 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HIV-1 protease 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: Q9WFL7 (Residues: 7-105; Coverage: 29%)
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand 595 2 x 595
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21212
Unit cell:
a: 58.173Å b: 85.934Å c: 46.134Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.23
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS.
Ghosh et al. (2016)
2 more