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

X-ray diffraction
2Å resolution
PDB entry 1kjh coloured by chain, front view.
PDB entry 1kjh coloured by chain, side view.
PDB entry 1kjh coloured by chain, top view.
Source organisms:
Assembly composition:
hetero trimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protease
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Multimeric state: hetero trimer
Accessible surface area: 9020.83 Å2
Buried surface area: 6018.81 Å2
Dissociation area: 2,348.97 Å2
Dissociation energy (ΔGdiss): 34.5 kcal/mol
Dissociation entropy (TΔSdiss): 11.17 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136844

Macromolecules

Protease
Chains: A, B
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)
Protease in PDB entry 1kjh, assembly 1, front view.
Protease in PDB entry 1kjh, assembly 1, side view.
Protease in PDB entry 1kjh, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P03369  
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50100PQITLWKRPLVTIRIGGQLKEALLNTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
UniProt
P03369
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
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p15
Chain: P
Length: 10 amino acids
Theoretical weight: 1.19 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Not provided
UniProt:
  • Canonical: P03366 (Residues: 1155-1164; Coverage: 1%)
Gene name: gag-pol
p15 in PDB entry 1kjh, assembly 1, front view.
p15 in PDB entry 1kjh, assembly 1, side view.
p15 in PDB entry 1kjh, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P03366  
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