Structure analysis

Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2

X-ray diffraction
1.7Å 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: 9851.03 Å2
Buried surface area: 5107.91 Å2
Dissociation area: 2,165.27 Å2
Dissociation energy (ΔGdiss): 30.47 kcal/mol
Dissociation entropy (TΔSdiss): 11.53 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-125232
Assembly 2
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Multimeric state: homo dimer
Accessible surface area: 9681.36 Å2
Buried surface area: 4893.1 Å2
Dissociation area: 2,099.42 Å2
Dissociation energy (ΔGdiss): 32.37 kcal/mol
Dissociation entropy (TΔSdiss): 11.51 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-125232

Macromolecules

Chains: A, B, C, D
Length: 99 amino acids
Theoretical weight: 10.79 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: I7BFC3 (Residues: 1-99; Coverage: 100%)
Gene name: pol
Pfam: Retroviral aspartyl protease
InterPro:

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