› 2zth

X-ray diffraction
2.6Å resolution

Crystal structure of holo form of rat catechol-o-methyltransferase

Released:
DOI: 10.2210/pdb2zth/pdb
PDB entry 2zth coloured by chain, front view.
PDB entry 2zth coloured by chain, side view.
PDB entry 2zth coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Crystal structures of the apo and holo form of rat catechol-O-methyltransferase.
Tsuji E, Okazaki K, Isaji M, Takeda K
J Struct Biol 165 133-9 (2009)
PMID: 19111934

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%)
Gene name: Comt
Sequence domains: O-methyltransferase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAM 1 x SAM
1 bound ligand:
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL32B2
Spacegroup: P212121
Unit cell:
a: 32.903Å b: 61.089Å c: 105.369Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.187 0.281
Expression system: Escherichia coli

Quick links

Citations

10 citation in other articles

Structural mechanism of S-adenosyl methionine binding to catechol O-methyltransferase.
Tsao et al. (2011)
9 more

1 mention without citation

Structure-based drug design of catechol-O-methyltransferase inhibitors for CNS disorders.
Ma et al. (2014)