PDBe 3a7d

X-ray diffraction
2.4Å resolution

Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor

Source organism: Rattus norvegicus
Entry author: Tsuji E

Function and Biology Details

Reaction catalysed:
S-adenosyl-L-methionine + a catechol = S-adenosyl-L-homocysteine + a guaiacol
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
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
  • Canonical: P22734 (Residues: 44-264; Coverage: 84%)
  • Best match: P22734-2 (Residues: 1-221)
Gene name: Comt
Sequence domains:
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL32B2
Spacegroup: P212121
Unit cell:
a: 50.075Å b: 58.082Å c: 79.198Å
α: 90° β: 90° γ: 90°
R R work R free
0.166 0.159 0.225
Expression system: Escherichia coli