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HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI

X-ray diffraction
1.5Å resolution
PDB entry 3b80 coloured by chain, front view.
PDB entry 3b80 coloured by chain, side view.
PDB entry 3b80 coloured by chain, top view.
Source organism: Human immunodeficiency virus type 1 BH10
Assembly composition:
hetero trimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 9272.27 Å2
Buried surface area: 5753.43 Å2
Dissociation area: 839.69 Å2
Dissociation energy (ΔGdiss): 6.89 kcal/mol
Dissociation entropy (TΔSdiss): 5.97 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138033

Macromolecules

Peptidase A2 domain-containing protein; Protease
Chains: A, B
Length: 99 amino acids
Theoretical weight: 10.73 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7SSI0 (Residues: 1-99; Coverage: 100%)
  • Canonical: P04587 (Residues: 501-599; Coverage: 7%)
    • nullnull
Gene names: gag-pol, pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases
Peptidase A2 domain-containing protein in PDB entry 3b80, assembly 1, front view.
Peptidase A2 domain-containing protein in PDB entry 3b80, assembly 1, side view.
Peptidase A2 domain-containing protein in PDB entry 3b80, assembly 1, top view.
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peptide
Chain: C
Length: 5 amino acids
Theoretical weight: 719 Da
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli BL21(DE3)
peptide in PDB entry 3b80, assembly 1, front view.
peptide in PDB entry 3b80, assembly 1, side view.
peptide in PDB entry 3b80, assembly 1, top view.
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