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Tailoring Small Molecules for an Allosteric Site on Procaspase-6

X-ray diffraction
1.673Å resolution
PDB entry 4n7j coloured by chain, front view.
PDB entry 4n7j coloured by chain, side view.
PDB entry 4n7j coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Caspase-6
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Multimeric state: homo dimer
Accessible surface area: 21042.46 Å2
Buried surface area: 4354.46 Å2
Dissociation area: 1,728.44 Å2
Dissociation energy (ΔGdiss): 18.14 kcal/mol
Dissociation entropy (TΔSdiss): 13.42 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157270

Macromolecules

Caspase-6
Chains: A, B
Length: 282 amino acids
Theoretical weight: 32.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55212 (Residues: 24-293; Coverage: 92%)
Gene names: CASP6, MCH2
Pfam: Caspase domain
InterPro:
CATH: Rossmann fold
Caspase-6 in PDB entry 4n7j, assembly 1, front view.
Caspase-6 in PDB entry 4n7j, assembly 1, side view.
Caspase-6 in PDB entry 4n7j, assembly 1, top view.
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