› 1oxg

X-ray diffraction
2.2Å resolution

Crystal structure of a complex formed between organic solvent treated bovine alpha-chymotrypsin and its autocatalytically produced highly potent 14-residue peptide at 2.2 resolution

Released:
DOI: 10.2210/pdb1oxg/pdb
PDB entry 1oxg coloured by chain, front view.
PDB entry 1oxg coloured by chain, side view.
PDB entry 1oxg coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Detection of native peptides as potent inhibitors of enzymes. Crystal structure of the complex formed between treated bovine alpha-chymotrypsin and an autocatalytically produced fragment, IIe-Val-Asn-Gly-Glu-Glu-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp, at 2.2 angstroms resolution.
Singh N, Jabeen T, Sharma S, Roy I, Gupta MN, Bilgrami S, Somvanshi RK, Dey S, Perbandt M, Betzel C, Srinivasan A, Singh TP
FEBS J 272 562-72 (2005)
PMID: 15654893

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Tyr-|-Xaa, Trp-|-Xaa, Phe-|-Xaa, Leu-|-Xaa.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Chymotrypsinogen A Chain: A
Molecule details ›
Chain: A
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
Chymotrypsin A chain B Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.54 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00766 (Residues: 16-29; Coverage: 6%)

Ligands and Environments

1 bound ligand:
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: I222
Unit cell:
a: 56.187Å b: 76.382Å c: 105.098Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.192 0.207

Quick links

Citations

6 citation in other articles

Designing photoswitchable peptides using the AsLOV2 domain.
Lungu et al. (2012)
5 more

3 mentions without citation

Expanding the frontiers of existing antiviral drugs: possible effects of HIV-1 protease inhibitors against SARS and avian influenza.
Savarino A. (2005)
2 more