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3stx

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==Crystal Structure of tomato Methylketone Synthase I H243A variant complexed with beta-ketoheptanoate==
==Crystal Structure of tomato Methylketone Synthase I H243A variant complexed with beta-ketoheptanoate==
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<StructureSection load='3stx' size='340' side='right' caption='[[3stx]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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<StructureSection load='3stx' size='340' side='right'caption='[[3stx]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3stx]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lycopersicon_hirsutum_f._glabratum Lycopersicon hirsutum f. glabratum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3STX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3STX FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3stx]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Solanum_habrochaites Solanum habrochaites]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3STX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3STX FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BKA:3-OXOHEPTANOIC+ACID'>BKA</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3stt|3stt]], [[3stu|3stu]], [[3stv|3stv]], [[3stw|3stw]], [[3sty|3sty]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BKA:3-OXOHEPTANOIC+ACID'>BKA</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">MKS1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=283673 Lycopersicon hirsutum f. glabratum])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3stx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3stx OCA], [https://pdbe.org/3stx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3stx RCSB], [https://www.ebi.ac.uk/pdbsum/3stx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3stx ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3stx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3stx OCA], [http://pdbe.org/3stx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3stx RCSB], [http://www.ebi.ac.uk/pdbsum/3stx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3stx ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/E0YCS2_SOLHA E0YCS2_SOLHA]
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Specialized methylketone-containing metabolites accumulate in certain plants, in particular wild tomatoes in which they serve as toxic compounds against chewing insects. In Solanum habrochaites f. glabratum, methylketone biosynthesis occurs in the plastids of glandular trichomes and begins with intermediates of de novo fatty acid synthesis. These fatty-acyl intermediates are converted via sequential reactions catalyzed by Methylketone Synthase2 (MKS2) and MKS1 to produce the n-1 methylketone. We report crystal structures of S. habrochaites MKS1, an atypical member of the alpha/beta-hydrolase superfamily. Sequence comparisons revealed the MKS1 catalytic triad, Ala-His-Asn, as divergent to the traditional alpha/beta-hydrolase triad, Ser-His-Asp. Determination of the MKS1 structure points to a novel enzymatic mechanism dependent upon residues Thr-18 and His-243, confirmed by biochemical assays. Structural analysis further reveals a tunnel leading from the active site consisting mostly of hydrophobic residues, an environment well suited for fatty-acyl chain binding. We confirmed the importance of this substrate binding mode by substituting several amino acids leading to an alteration in the acyl-chain length preference of MKS1. Furthermore, we employ structure-guided mutagenesis and functional assays to demonstrate that MKS1, unlike enzymes from this hydrolase superfamily, is not an efficient hydrolase but instead catalyzes the decarboxylation of 3-keto acids.
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Emergent decarboxylase activity and attenuation of alpha/beta-hydrolase activity during the evolution of methylketone biosynthesis in tomato.,Auldridge ME, Guo Y, Austin MB, Ramsey J, Fridman E, Pichersky E, Noel JP Plant Cell. 2012 Apr;24(4):1596-607. doi: 10.1105/tpc.111.093997. Epub 2012 Apr, 20. PMID:22523203<ref>PMID:22523203</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3stx" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Lycopersicon hirsutum f. glabratum]]
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[[Category: Large Structures]]
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[[Category: Auldridge, M E]]
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[[Category: Solanum habrochaites]]
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[[Category: Austin, M B]]
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[[Category: Auldridge ME]]
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[[Category: Noel, J P]]
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[[Category: Austin MB]]
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[[Category: Alpha/beta hydrolase]]
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[[Category: Noel JP]]
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[[Category: Decarboxylase]]
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[[Category: Hydrolase]]
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[[Category: Methylketone]]
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Current revision

Crystal Structure of tomato Methylketone Synthase I H243A variant complexed with beta-ketoheptanoate

PDB ID 3stx

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