2efj: Difference between revisions
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==The structure of 1,7 dimethylxanthine methyltransferase== | ==The structure of 1,7 dimethylxanthine methyltransferase== | ||
<StructureSection load='2efj' size='340' side='right' caption='[[2efj]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='2efj' size='340' side='right'caption='[[2efj]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2efj]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[2efj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cofca Cofca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2EFJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2EFJ FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=37T:THEOBROMINE'>37T</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=37T:THEOBROMINE'>37T</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2eg5|2eg5]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2eg5|2eg5]]</div></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DXMT1 ([ | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DXMT1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 COFCA])</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2efj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2efj OCA], [https://pdbe.org/2efj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2efj RCSB], [https://www.ebi.ac.uk/pdbsum/2efj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2efj ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
[[ | [[https://www.uniprot.org/uniprot/DXMT1_COFCA DXMT1_COFCA]] Involved in the biosynthesis of caffeine. Catalyzes the conversion of 7-methylxanthine to theobromine and of theobromine to caffeine, but no sequential conversion of 7-methylxanthine to caffeine was detected. | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Cofca]] | [[Category: Cofca]] | ||
[[Category: Large Structures]] | |||
[[Category: McCarthy, A A]] | [[Category: McCarthy, A A]] | ||
[[Category: McCarthy, J G]] | [[Category: McCarthy, J G]] | ||
Revision as of 15:04, 10 February 2021
The structure of 1,7 dimethylxanthine methyltransferaseThe structure of 1,7 dimethylxanthine methyltransferase
Structural highlights
Function[DXMT1_COFCA] Involved in the biosynthesis of caffeine. Catalyzes the conversion of 7-methylxanthine to theobromine and of theobromine to caffeine, but no sequential conversion of 7-methylxanthine to caffeine was detected. Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedCaffeine (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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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