X-ray diffraction
1.5Å resolution

human catechol O-methyltransferase in complex with SAM and DNC at 1.50A

Source organism: Homo sapiens
Entry authors: Ehler A, Lerner C, Rudolph MG

Function and Biology Details

Reaction catalysed:
S-adenosyl-L-methionine + a catechol = S-adenosyl-L-homocysteine + a guaiacol
Biochemical function:
  • not assigned
Biological process:
  • not assigned
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: 221 amino acids
Theoretical weight: 24.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P21964 (Residues: 51-271; Coverage: 82%)
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:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 43.021Å b: 61.311Å c: 44.773Å
α: 90° β: 118.3° γ: 90°
R R work R free
0.169 0.167 0.21
Expression system: Escherichia coli BL21(DE3)