Structure analysis

HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity

X-ray diffraction
1.9Å resolution
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: homo dimer
Accessible surface area: 9000 Å2
Buried surface area: 5200 Å2
Dissociation area: 2,200 Å2
Dissociation energy (ΔGdiss): 32 kcal/mol
Dissociation entropy (TΔSdiss): 11 kcal/mol
Interface energy (ΔGint): -30 kcal/mol
Symmetry number: 2

Macromolecules

Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.78 KDa
Source organism: Human immunodeficiency virus type 1 (Z2/CDC-Z34 ISOLATE)
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P12499 (Residues: 490-588; Coverage: 7%)
Gene name: gag-pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases

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