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Caspase-3 specific unnatural amino acid peptides

X-ray diffraction
1.481Å resolution
PDB entry 4jje coloured by chain, front view.
PDB entry 4jje coloured by chain, side view.
PDB entry 4jje coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Caspase-3 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 11737.85 Å2
Buried surface area: 1234.55 Å2
Dissociation area: 558.71 Å2
Dissociation energy (ΔGdiss): -6.49 kcal/mol
Dissociation entropy (TΔSdiss): 6.31 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-154721

Macromolecules

Caspase-3 subunit p17
Chain: A
Length: 257 amino acids
Theoretical weight: 29.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42574 (Residues: 29-277; Coverage: 90%)
Gene names: CASP3, CPP32
Pfam: Caspase domain
InterPro:
CATH: Rossmann fold
Caspase-3 subunit p17 in PDB entry 4jje, assembly 1, front view.
Caspase-3 subunit p17 in PDB entry 4jje, assembly 1, side view.
Caspase-3 subunit p17 in PDB entry 4jje, assembly 1, top view.
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Caspase inhibitor
Chain: B
Length: 6 amino acids
Theoretical weight: 823 Da
Source organism: Homo sapiens
Expression system: Not provided
Caspase inhibitor in PDB entry 4jje, assembly 1, front view.
Caspase inhibitor in PDB entry 4jje, assembly 1, side view.
Caspase inhibitor in PDB entry 4jje, assembly 1, top view.
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