› 3bwm

X-ray diffraction
1.98Å resolution

Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC

Released:
DOI: 10.2210/pdb3bwm/pdb
PDB entry 3bwm coloured by chain, front view.
PDB entry 3bwm coloured by chain, side view.
PDB entry 3bwm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human 108V and 108M catechol O-methyltransferase.
Rutherford K, Le Trong I, Stenkamp RE, Parson WW
J Mol Biol 380 120-30 (2008)
PMID: 18486144

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-149486 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Catechol O-methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 23.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P21964 (Residues: 52-265; Coverage: 79%)
Gene name: COMT
Sequence domains: O-methyltransferase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAM 1 x SAM
3 bound ligands:
Ligand MG 1 x MG
Ligand K 1 x K
Ligand DNC 1 x DNC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 43.284Å b: 66.648Å c: 68.046Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.225
Expression system: Escherichia coli

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Citations

1 review citation

Pharmacogenetics and Pharmacotherapy of Military Personnel Suffering from Post-traumatic Stress Disorder.
Naß et al. (2017)
32 other articles

46 mentions without citation

The structural biology of oestrogen metabolism.
Thomas et al. (2013)
45 more