› 6gy1

X-ray diffraction
2.1Å 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 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: 223 amino acids
Theoretical weight: 24.92 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P22734 (Residues: 44-264; Coverage: 84%)
  • Best match: P22734-2 (Residues: 1-221)
Gene name: Comt
Sequence domains: O-methyltransferase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAH 1 x SAH
3 bound ligands:
Ligand MG 1 x MG
Ligand FGQ 1 x FGQ
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3221
Unit cell:
a: 50.41Å b: 50.41Å c: 168.332Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.212 0.249
Expression system: Escherichia coli

Quick links

Citations

7 citation in other articles

Development of a PC12 Cell Based Assay for Screening Catechol-O-methyltransferase Inhibitors.
Zhang et al. (2019)
6 more

1 mention without citation

Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
Buchler et al. (2018)