Structure analysis

Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.

X-ray diffraction
1.7Å resolution
Source organism: Homo sapiens
Assembly composition:
hetero dodecamer (preferred)
Entry contents: 3 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero dodecamer
Accessible surface area: 36893.67 Å2
Buried surface area: 39397.85 Å2
Dissociation area: 9,455.77 Å2
Dissociation energy (ΔGdiss): 43.84 kcal/mol
Dissociation entropy (TΔSdiss): 63.21 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-154799

Macromolecules

Chain: A
Length: 147 amino acids
Theoretical weight: 16.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42574 (Residues: 29-175; Coverage: 53%)
Gene names: CASP3, CPP32
Pfam: Caspase domain
InterPro:
CATH: Rossmann fold

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Chain: B
Length: 103 amino acids
Theoretical weight: 11.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42574 (Residues: 176-277; Coverage: 37%)
Gene names: CASP3, CPP32
Pfam: Caspase domain
InterPro:
CATH: Caspase-like

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