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Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease

X-ray diffraction
1.6Å resolution
PDB entry 3el5 coloured by chain, front view.
PDB entry 3el5 coloured by chain, side view.
PDB entry 3el5 coloured by chain, top view.
Source organism: HIV-1 M:B_ARV2/SF2
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protease
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Multimeric state: homo dimer
Accessible surface area: 9750.42 Å2
Buried surface area: 6468.36 Å2
Dissociation area: 2,156.05 Å2
Dissociation energy (ΔGdiss): 29.74 kcal/mol
Dissociation entropy (TΔSdiss): 11.51 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-136879

Macromolecules

Protease
Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.83 KDa
Source organism: HIV-1 M:B_ARV2/SF2
Expression system: Escherichia coli
UniProt:
  • Canonical: P03369 (Residues: 491-589; Coverage: 7%)
Gene name: gag-pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases
Protease in PDB entry 3el5, assembly 1, front view.
Protease in PDB entry 3el5, assembly 1, side view.
Protease in PDB entry 3el5, assembly 1, top view.
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