› 1gcd

X-ray diffraction
1.9Å resolution

REFINED CRYSTAL STRUCTURE OF "AGED" AND "NON-AGED" ORGANOPHOSPHORYL CONJUGATES OF GAMMA-CHYMOTRYPSIN

Released:
DOI: 10.2210/pdb1gcd/pdb
PDB entry 1gcd coloured by chain, front view.
PDB entry 1gcd coloured by chain, side view.
PDB entry 1gcd coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Refined crystal structures of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin.
Harel M, Su CT, Frolow F, Ashani Y, Silman I, Sussman JL
J Mol Biol 221 909-18 (1991)
PMID: 1942036

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133434 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chymotrypsinogen A Chain: A
Molecule details ›
Chain: A
Length: 245 amino acids
Theoretical weight: 25.69 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: P00766 (Residues: 1-245; Coverage: 100%)
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand DEP 1 x DEP
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P42212
Unit cell:
a: 69Å b: 69Å c: 95.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 not available not available
Expression system: Not provided

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Citations

4 review citations

Butyrylcholinesterase for protection from organophosphorus poisons: catalytic complexities and hysteretic behavior.
Masson et al. (2010)
3 more

1 mention without citation

Transesterification of Non-Activated Esters Promoted by Small Molecules Mimicking the Active Site of Hydrolases.
Garrido-González et al. (2022)