2zvj

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[[Image:2zvj.png|left|200px]]
 
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{{STRUCTURE_2zvj| PDB=2zvj | SCENE= }}
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==Crystal structures of rat Catechol-O-Methyltransferase complexed with coumarine-based inhibitor==
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<StructureSection load='2zvj' size='340' side='right'caption='[[2zvj]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2zvj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZVJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ZVJ 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]] 2.3&#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=KOM:7,8-DIHYDROXY-4-PHENYL-2H-CHROMEN-2-ONE'>KOM</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene></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=2zvj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zvj OCA], [https://pdbe.org/2zvj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2zvj RCSB], [https://www.ebi.ac.uk/pdbsum/2zvj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2zvj ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/COMT_RAT COMT_RAT] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
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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/zv/2zvj_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=2zvj 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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In human, catechol-O-methyltransferase (COMT: E.C. 2.1.1.6) is responsible for metabolism of catechol neurotransmitter and xenobiotics. The main clinical interest in COMT results from the possibility of using COMT inhibitors as adjuncts in the therapy of Parkinson's disease (PD) with l-DOPA. COMT is therefore a target for inhibitor development aiming at PD treatment and has been submitted to extensive structure-based drug design. Recently reported inhibitors have nitrocatechol structure that may inhibit oxidative phosphorylation and uncouple mitochondrial energy production. This work reports the first crystallographic study of Rat COMT complexed with non-nitrocatechol inhibitor. Analysis of the structural differences among the previously reported inhibitor complexes, coumarine-based inhibitor (4-phenyl-7, 8-dihydroxycoumarine: 4PCM) bound structure provides the explanation for inhibitor binding and can be used for future inhibitor design.
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===Crystal structures of rat Catechol-O-Methyltransferase complexed with coumarine-based inhibitor===
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Crystal structures of rat catechol-O-methyltransferase complexed with coumarine-based inhibitor.,Tsuji E, Okazaki K, Takeda K Biochem Biophys Res Commun. 2009 Jan 16;378(3):494-7. Epub 2008 Dec 3. PMID:19056347<ref>PMID:19056347</ref>
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{{ABSTRACT_PUBMED_19056347}}
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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 2zvj" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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[[2zvj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZVJ OCA].
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*[[Catechol O-methyltransferase 3D structures|Catechol O-methyltransferase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019056347</ref><references group="xtra"/>
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__TOC__
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[[Category: Catechol O-methyltransferase]]
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
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[[Category: Tsuji, E.]]
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[[Category: Tsuji E]]
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[[Category: Alternative initiation]]
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[[Category: Catecholamine metabolism]]
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[[Category: Cell membrane]]
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[[Category: Magnesium]]
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[[Category: Membrane]]
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[[Category: Metal-binding]]
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[[Category: Methyltransferase]]
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[[Category: Neurotransmitter degradation]]
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[[Category: Phosphoprotein]]
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[[Category: S-adenosyl-l-methionine]]
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[[Category: Signal-anchor]]
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[[Category: Transferase]]
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[[Category: Transmembrane]]
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Current revision

Crystal structures of rat Catechol-O-Methyltransferase complexed with coumarine-based inhibitor

PDB ID 2zvj

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