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 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 9300 Å2
Buried surface area: 6300 Å2
Dissociation area: 950 Å2
Dissociation energy (ΔGdiss): 9 kcal/mol
Dissociation entropy (TΔSdiss): 7 kcal/mol
Interface energy (ΔGint): -34 kcal/mol
Symmetry number: 1
Assembly 2
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Multimeric state: hetero trimer
Accessible surface area: 8900 Å2
Buried surface area: 6100 Å2
Dissociation area: 900 Å2
Dissociation energy (ΔGdiss): 10 kcal/mol
Dissociation entropy (TΔSdiss): 7 kcal/mol
Interface energy (ΔGint): -31 kcal/mol
Symmetry number: 1
Assembly 3
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Multimeric state: hetero 24-mer

Binding statistics and energies are not available for this assembly

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)

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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

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