CATH Classification

Domain Context

CATH Clusters

Superfamily Vaccinia Virus protein VP39
Functional Family Salicylate/benzoate carboxyl methyltransferase

Enzyme Information

2.1.1.160
Caffeine synthase.
based on mapping to UniProt A4GE70
(1) S-adenosyl-L-methionine + 3,7-dimethylxanthine = S-adenosyl-L- homocysteine + 1,3,7-trimethylxanthine. (2) S-adenosyl-L-methionine + 1,7-dimethylxanthine = S-adenosyl-L- homocysteine + 1,3,7-trimethylxanthine. (3) S-adenosyl-L-methionine + 7-methylxanthine = S-adenosyl-L- homocysteine + 3,7-dimethylxanthine.
-!- Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis.

UniProtKB Entries (1)

A4GE70
DXMT1_COFCA
Coffea canephora
3,7-dimethylxanthine N-methyltransferase

PDB Structure

PDB 2EFJ
External Links
Method X-RAY DIFFRACTION
Organism Escherichia
Primary Citation
The structure of two N-methyltransferases from the caffeine biosynthetic pathway
McCarthy, A.A., McCarthy, J.G.
Plant Physiol.