Structure analysis

Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol

X-ray diffraction
1.85Å resolution
Source organism: Human immunodeficiency virus
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: 9527.78 Å2
Buried surface area: 4484.28 Å2
Dissociation area: 2,074.98 Å2
Dissociation energy (ΔGdiss): 28.11 kcal/mol
Dissociation entropy (TΔSdiss): 11.49 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-136848

Macromolecules

Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.78 KDa
Source organism: Human immunodeficiency virus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P03366 (Residues: 501-599; Coverage: 7%)
Gene name: gag-pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases

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