Structure analysis

Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor

X-ray diffraction
0.84Å 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: 9835.48 Å2
Buried surface area: 5983.31 Å2
Dissociation area: 2,100.88 Å2
Dissociation energy (ΔGdiss): 27.1 kcal/mol
Dissociation entropy (TΔSdiss): 11.52 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-181991

Macromolecules

Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.75 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7SSI0 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases

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