Structure analysis

CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3

X-ray diffraction
2.7Å resolution
Source organism: Homo sapiens
Assembly composition:
hetero hexamer (preferred)
Entry contents: 3 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero hexamer
Accessible surface area: 28900 Å2
Buried surface area: 18800 Å2
Dissociation area: 2,800 Å2
Dissociation energy (ΔGdiss): 27 kcal/mol
Dissociation entropy (TΔSdiss): 25 kcal/mol
Interface energy (ΔGint): -114 kcal/mol
Symmetry number: 2

Macromolecules

Chains: A, C
Length: 175 amino acids
Theoretical weight: 19.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42574 (Residues: 1-175; Coverage: 63%)
Gene names: CASP3, CPP32
InterPro:
CATH: Rossmann fold
SCOP: Caspase catalytic domain

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Chains: B, D
Length: 110 amino acids
Theoretical weight: 12.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42574 (Residues: 176-277; Coverage: 37%)
Gene names: CASP3, CPP32
InterPro:
CATH: Caspase-like
SCOP: Caspase catalytic domain

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Chains: E, F
Length: 121 amino acids
Theoretical weight: 13.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P98170 (Residues: 124-240; Coverage: 24%)
Gene names: API3, BIRC4, IAP3, XIAP
Pfam: Inhibitor of Apoptosis domain
InterPro: BIR repeat
CATH: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A
SCOP: Inhibitor of apoptosis (IAP) repeat

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