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2efj
From Proteopedia
| 2efj, resolution 2.00Å () | |||||||||
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| Ligands: | , | ||||||||
| Gene: | DXMT1 (Coffea canephora) | ||||||||
| Related: | 2eg5 | ||||||||
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| Resources: | FirstGlance, OCA, RCSB, PDBsum | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
The structure of 1,7 dimethylxanthine methyltransferase
Caffeine (1,3,7-trimethylxanthine) is a secondary metabolite produced by certain plant species and an important component of coffee (Coffea arabica and Coffea canephora) and tea (Camellia sinensis). Here we describe the structures of two S-adenosyl-l-methionine-dependent N-methyltransferases that mediate caffeine biosynthesis in C. canephora 'robusta', xanthosine (XR) methyltransferase (XMT), and 1,7-dimethylxanthine methyltransferase (DXMT). Both were cocrystallized with the demethylated cofactor, S-adenosyl-L-cysteine, and substrate, either xanthosine or theobromine. Our structures reveal several elements that appear critical for substrate selectivity. Serine-316 in XMT appears central to the recognition of XR. Likewise, a change from glutamine-161 in XMT to histidine-160 in DXMT is likely to have catalytic consequences. A phenylalanine-266 to isoleucine-266 change in DXMT is also likely to be crucial for the discrimination between mono and dimethyl transferases in coffee. These key residues are probably functionally important and will guide future studies with implications for the biosynthesis of caffeine and its derivatives in plants.
The structure of two N-methyltransferases from the caffeine biosynthetic pathway., McCarthy AA, McCarthy JG, Plant Physiol. 2007 Jun;144(2):879-89. Epub 2007 Apr 13. PMID:17434991
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
2efj is a 1 chain structure with sequence from Coffea canephora. Full crystallographic information is available from OCA.
Reference
- McCarthy AA, McCarthy JG. The structure of two N-methyltransferases from the caffeine biosynthetic pathway. Plant Physiol. 2007 Jun;144(2):879-89. Epub 2007 Apr 13. PMID:17434991 doi:10.1104/pp.106.094854
- McCarthy AA, Biget L, Lin C, Petiard V, Tanksley SD, McCarthy JG. Cloning, expression, crystallization and preliminary X-ray analysis of the XMT and DXMT N-methyltransferases from Coffea canephora (robusta). Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Apr 1;63(Pt, 4):304-7. Epub 2007 Mar 12. PMID:17401201 doi:10.1107/S1744309107009268
