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CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO

X-ray diffraction
2.9Å resolution
PDB entry 1f9e coloured by chain, front view.
PDB entry 1f9e coloured by chain, side view.
PDB entry 1f9e coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero hexamer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: Caspase-8 complex and peptide
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Multimeric state: hetero hexamer
Accessible surface area: 18401.41 Å2
Buried surface area: 17005.95 Å2
Dissociation area: 1,090.71 Å2
Dissociation energy (ΔGdiss): -5.49 kcal/mol
Dissociation entropy (TΔSdiss): 10.41 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162180
Assembly 2
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Assembly Name: Caspase-8 complex and peptide
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Multimeric state: hetero hexamer
Accessible surface area: 18209.45 Å2
Buried surface area: 17155.25 Å2
Dissociation area: 540.26 Å2
Dissociation energy (ΔGdiss): -2.41 kcal/mol
Dissociation entropy (TΔSdiss): 5.41 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162180
Assembly 3 (preferred)
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Assembly Name: Caspase-8 complex and peptide
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Multimeric state: hetero hexamer
Accessible surface area: 18436.14 Å2
Buried surface area: 17108.97 Å2
Dissociation area: 1,077.93 Å2
Dissociation energy (ΔGdiss): -7.52 kcal/mol
Dissociation entropy (TΔSdiss): 10.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162180

Macromolecules

Caspase-8 subunit p18
Chains: A, C, E, G, I, K
Length: 153 amino acids
Theoretical weight: 17.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14790 (Residues: 222-374; Coverage: 32%)
Gene names: CASP8, MCH5
Pfam: Caspase domain
InterPro:
CATH: Rossmann fold
SCOP: Caspase catalytic domain
Caspase-8 subunit p18 in PDB entry 1f9e, assembly 3, front view.
Caspase-8 subunit p18 in PDB entry 1f9e, assembly 3, side view.
Caspase-8 subunit p18 in PDB entry 1f9e, assembly 3, top view.
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Caspase-8 subunit p10
Chains: B, D, F, H, J, L
Length: 89 amino acids
Theoretical weight: 10.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14790 (Residues: 390-478; Coverage: 19%)
Gene names: CASP8, MCH5
Pfam: Caspase domain
InterPro:
CATH: Caspase-like
SCOP: Caspase catalytic domain
Caspase-8 subunit p10 in PDB entry 1f9e, assembly 3, front view.
Caspase-8 subunit p10 in PDB entry 1f9e, assembly 3, side view.
Caspase-8 subunit p10 in PDB entry 1f9e, assembly 3, top view.
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(PHQ)DEVD
Chains: Q, R, S, T, U, V
Length: 5 amino acids
Theoretical weight: 613 Da
(PHQ)DEVD in PDB entry 1f9e, assembly 3, front view.
(PHQ)DEVD in PDB entry 1f9e, assembly 3, side view.
(PHQ)DEVD in PDB entry 1f9e, assembly 3, top view.
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