› 1jr4

X-ray diffraction
2.63Å resolution

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + a catechol = S-adenosyl-L-homocysteine + a guaiacol
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149780 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Catechol O-methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 221 amino acids
Theoretical weight: 24.77 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P22734 (Residues: 44-264; Coverage: 84%)
Gene name: Comt
Sequence domains: O-methyltransferase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand CL4 1 x CL4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P3221
Unit cell:
a: 50.6Å b: 50.6Å c: 167.7Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.223 0.223 0.28
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Molecular recognition in chemical and biological systems.
Persch et al. (2015)
1 more

5 mentions without citation

Many paths to methyltransfer: a chronicle of convergence.
Schubert et al. (2003)
4 more