2efj
From Proteopedia
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|PDB= 2efj |SIZE=350|CAPTION= <scene name='initialview01'>2efj</scene>, resolution 2.00Å | |PDB= 2efj |SIZE=350|CAPTION= <scene name='initialview01'>2efj</scene>, resolution 2.00Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=37T:THEOBROMINE'>37T</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= DXMT1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 Coffea canephora]) | |GENE= DXMT1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 Coffea canephora]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2eg5|2EG5]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2efj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2efj OCA], [http://www.ebi.ac.uk/pdbsum/2efj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2efj RCSB]</span> | ||
}} | }} | ||
| Line 24: | Line 27: | ||
[[Category: McCarthy, A A.]] | [[Category: McCarthy, A A.]] | ||
[[Category: McCarthy, J G.]] | [[Category: McCarthy, J G.]] | ||
| - | [[Category: 37T]] | ||
| - | [[Category: SAH]] | ||
[[Category: sah]] | [[Category: sah]] | ||
[[Category: sam-dependant methyltransferase]] | [[Category: sam-dependant methyltransferase]] | ||
[[Category: theobromine]] | [[Category: theobromine]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:48:19 2008'' |
Revision as of 23:48, 30 March 2008
| |||||||
| , resolution 2.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | DXMT1 (Coffea canephora) | ||||||
| Related: | 2EG5
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
The structure of 1,7 dimethylxanthine methyltransferase
Overview
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.
About this Structure
2EFJ is a Single protein structure of sequence from Coffea canephora. Full crystallographic information is available from OCA.
Reference
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
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