Structure analysis

SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES

X-ray diffraction
2.9Å resolution
Assemblies composition:
hetero trimer (preferred)
hetero 24-mer
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1
Download    3D Visualisation
Multimeric state: hetero trimer
Accessible surface area: 9254.33 Å2
Buried surface area: 6308.3 Å2
Dissociation area: 956.81 Å2
Dissociation energy (ΔGdiss): 9.14 kcal/mol
Dissociation entropy (TΔSdiss): 6.82 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136881
Assembly 2 (preferred)
Download    3D Visualisation
Multimeric state: hetero trimer
Accessible surface area: 8854.91 Å2
Buried surface area: 6099.16 Å2
Dissociation area: 912.03 Å2
Dissociation energy (ΔGdiss): 9.71 kcal/mol
Dissociation entropy (TΔSdiss): 6.55 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136881
Assembly 3
Download    3D Visualisation
Multimeric state: hetero 24-mer
Accessible surface area: 54696.43 Å2
Buried surface area: 67377.92 Å2
Dissociation area: 9,460.25 Å2
Dissociation energy (ΔGdiss): 3.3 kcal/mol
Dissociation entropy (TΔSdiss): 93.43 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-136878

Macromolecules

Chains: A, B, C, D
Length: 99 amino acids
Theoretical weight: 10.8 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: P03369 (Residues: 491-589; Coverage: 7%)
Gene name: gag-pol
Pfam: Retroviral aspartyl protease
InterPro:
CATH: Acid Proteases
SCOP: Retroviral protease (retropepsin)

Search similar proteins

Chains: P, S
Length: 10 amino acids
Theoretical weight: 1.16 KDa
Source organism: Human immunodeficiency virus type 1 (JRCSF ISOLATE)
Expression system: Not provided
UniProt:
  • Canonical: P20875 (Residues: 128-137; Coverage: 1%)
Gene name: gag-pol

Search similar proteins