Structure analysis

Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A mutant

X-ray diffraction
1.55Å resolution
Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 13580.84 Å2
Buried surface area: 2422.74 Å2
Dissociation area: 800.63 Å2
Dissociation energy (ΔGdiss): 7.46 kcal/mol
Dissociation entropy (TΔSdiss): 10.76 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133535
Assembly 2
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Multimeric state: hetero tetramer
Accessible surface area: 26166.1 Å2
Buried surface area: 5823.72 Å2
Dissociation area: 2,125.91 Å2
Dissociation energy (ΔGdiss): 1.3 kcal/mol
Dissociation entropy (TΔSdiss): 34.88 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-133538

Macromolecules

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Chain: I
Length: 64 amino acids
Theoretical weight: 7.23 KDa
Source organism: Hordeum vulgare
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q40059 (Residues: 21-84; Coverage: 76%)
Gene name: Ica-2
Pfam: Potato inhibitor I family
InterPro:
CATH: Trypsin Inhibitor V, subunit A
SCOP: CI-2 family of serine protease inhibitors

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