2dio

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{{Seed}}
 
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[[Image:2dio.png|left|200px]]
 
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==Crystal Structure of the Allene Oxide Cyclase 2 with bound inhibitor vernolic acid==
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The line below this paragraph, containing "STRUCTURE_2dio", creates the "Structure Box" on the page.
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<StructureSection load='2dio' size='340' side='right'caption='[[2dio]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2dio]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Arabidopsis_thaliana Arabidopsis thaliana]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2DIO FirstGlance]. <br>
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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]] 1.7&#8491;</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=EOD:11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC+ACID'>EOD</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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{{STRUCTURE_2dio| PDB=2dio | SCENE= }}
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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=2dio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2dio OCA], [https://pdbe.org/2dio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2dio RCSB], [https://www.ebi.ac.uk/pdbsum/2dio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2dio ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AOC2_ARATH AOC2_ARATH] Involved in the production of 12-oxo-phytodienoic acid (OPDA), a precursor of jasmonic acid.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/di/2dio_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2dio ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We describe the crystallization and structure elucidation of Arabidopsis thaliana allene oxide cyclase 2 (AOC2), a key enzyme in the biosynthesis of jasmonates. In a coupled reaction with allene oxide synthase, AOC2 releases the first cyclic and biologically active metabolite, 12-oxo-phytodienoic acid (OPDA). AOC2 (AT3G25770) folds into an eight-stranded antiparallel beta-barrel with a C-terminal partial helical extension. The protein forms a hydrophobic binding cavity with two distinct polar patches. AOC2 is trimeric in crystals, in vitro and in planta. Based on the observed folding pattern, we assigned AOC2 as a low molecular weight member of the lipocalin family with enzymatic activity in plants. We determined the binding position of the competitive inhibitor vernolic acid (a substrate analog) in the binding pocket. Based on models for bound substrate 12,13-epoxy-9,11,15-octadecatrienoic acid and product OPDA, we propose a reaction scheme that explains the influence of the C15 double bond on reactivity. Reaction is promoted by anchimeric assistance through a conserved Glu residue. The transition state with a pentadienyl carbocation and an oxyanion is stabilized by a strongly bound water molecule and favorable pi-pi interactions with aromatic residues in the cavity. Stereoselectivity results from steric restrictions to the necessary substrate isomerizations imposed by the protein.
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===Crystal Structure of the Allene Oxide Cyclase 2 with bound inhibitor vernolic acid===
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The crystal structure of Arabidopsis thaliana allene oxide cyclase: insights into the oxylipin cyclization reaction.,Hofmann E, Zerbe P, Schaller F Plant Cell. 2006 Nov;18(11):3201-17. Epub 2006 Nov 3. PMID:17085685<ref>PMID:17085685</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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The line below this paragraph, {{ABSTRACT_PUBMED_17085685}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2dio" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 17085685 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_17085685}}
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__TOC__
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</StructureSection>
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==About this Structure==
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2DIO is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Arabidopsis_thaliana Arabidopsis thaliana]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DIO OCA].
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==Reference==
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The crystal structure of Arabidopsis thaliana allene oxide cyclase: insights into the oxylipin cyclization reaction., Hofmann E, Zerbe P, Schaller F, Plant Cell. 2006 Nov;18(11):3201-17. Epub 2006 Nov 3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17085685 17085685]
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[[Category: Allene-oxide cyclase]]
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[[Category: Arabidopsis thaliana]]
[[Category: Arabidopsis thaliana]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Hofmann, E.]]
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[[Category: Hofmann E]]
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[[Category: Schaller, F.]]
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[[Category: Schaller F]]
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[[Category: Zerbe, P.]]
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[[Category: Zerbe P]]
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[[Category: Beta barrel]]
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[[Category: Inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 23:37:13 2008''
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Current revision

Crystal Structure of the Allene Oxide Cyclase 2 with bound inhibitor vernolic acid

PDB ID 2dio

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