PDBe 1to1

X-ray diffraction
1.68Å resolution

crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant


Function and Biology Details

Reaction catalysed:
Hydrolysis of proteins with broad specificity for peptide bonds, and a preference for a large uncharged residue in P1. Hydrolyzes peptide amides.
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Subtilisin BPN' Chain: E
Molecule details ›
Chain: E
Length: 281 amino acids
Theoretical weight: 28.38 KDa
Source organism: Bacillus amyloliquefaciens
Expression system: Bacillus subtilis
  • Canonical: P00782 (Residues: 108-382; Coverage: 78%)
Gene name: apr
Sequence domains: Subtilase family
Structure domains: Peptidase S8/S53 domain
Chymotrypsin inhibitor 2 Chain: I
Molecule details ›
Chain: I
Length: 64 amino acids
Theoretical weight: 7.19 KDa
Source organism: Hordeum vulgare subsp. vulgare
Expression system: Escherichia coli BL21(DE3)
  • Canonical: Q40059 (Residues: 21-84; Coverage: 76%)
Gene name: Ica-2
Sequence domains: Potato inhibitor I family
Structure domains: Trypsin Inhibitor V, subunit A

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P6522
Unit cell:
a: 94.087Å b: 94.087Å c: 185.769Å
α: 90° β: 90° γ: 120°
R R work R free
0.157 0.156 0.182
Expression systems:
  • Bacillus subtilis
  • Escherichia coli BL21(DE3)