› 1ohr

X-ray diffraction
2.1Å resolution

VIRACEPT (R) (NELFINAVIR MESYLATE, AG1343): A POTENT ORALLY BIOAVAILABLE INHIBITOR OF HIV-1 PROTEASE

Released:
DOI: 10.2210/pdb1ohr/pdb
PDB entry 1ohr coloured by chain, front view.
PDB entry 1ohr coloured by chain, side view.
PDB entry 1ohr coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease.
Kaldor SW, Kalish VJ, Davies JF, Shetty BV, Fritz JE, Appelt K, Burgess JA, Campanale KM, Chirgadze NY, Clawson DK, Dressman BA, Hatch SD, Khalil DA, Kosa MB, Lubbehusen PP, Muesing MA, Patick AK, Reich SH, Su KS, Tatlock JH
J Med Chem 40 3979-85 (1997)
PMID: 9397180

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192968 (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: 10.8 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Q288 (Residues: 1-99; Coverage: 100%)
Gene name: v-1 PROTEASE
Sequence domains: Retroviral aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 52.04Å b: 59.38Å c: 61.67Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 not available
Expression system: Escherichia coli

Quick links

Citations

45 review citations

Challenges of antibacterial discovery.
Silver LL. (2011)
44 more

39 mentions without citation

Current perspectives on HIV-1 antiretroviral drug resistance.
Iyidogan et al. (2014)
38 more