4q2k

X-ray diffraction
2.2Å resolution

Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b

Released:
Model geometry
Fit model/data
Source organism: Bos taurus
Primary publication:
Macrocyclic protease inhibitors with reduced peptide character.
Angew Chem Int Ed Engl 53 7828-31 (2014)
PMID: 24903745

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133434 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chymotrypsinogen A Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 245 amino acids
Theoretical weight: 25.69 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00766 (Residues: 1-245; Coverage: 100%)
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 45.61Å b: 109.34Å c: 89.07Å
α: 90° β: 93.47° γ: 90°
R-values:
R R work R free
0.209 0.206 0.268