2v60

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[[Image:2v60.gif|left|200px]]<br /><applet load="2v60" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2v60, resolution 2.00&Aring;" />
 
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'''STRUCTURE OF HUMAN MAO B IN COMPLEX WITH THE SELECTIVE INHIBITOR 7-(3-CHLOROBENZYLOXY)-4-CARBOXALDEHYDE-COUMARIN'''<br />
 
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==Overview==
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==Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin==
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Structures of human monoamine oxidase B (MAO B) in complex with safinamide, and two coumarin derivatives, all sharing a common benzyloxy substituent, were determined by X-ray crystallography. These compounds competitively, inhibit MAO B with Ki values in the 0.1-0.5 muM range that are 30-700-fold, lower than those observed with MAO A. The inhibitors bind noncovalently to, MAO B, occupying both the entrance and the substrate cavities and showing, a similarly oriented benzyloxy substituent.
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<StructureSection load='2v60' size='340' side='right'caption='[[2v60]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2v60]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V60 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2V60 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&#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=C17:7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE'>C17</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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=2v60 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2v60 OCA], [https://pdbe.org/2v60 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2v60 RCSB], [https://www.ebi.ac.uk/pdbsum/2v60 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2v60 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AOFB_HUMAN AOFB_HUMAN] Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
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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/v6/2v60_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=2v60 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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Structures of human monoamine oxidase B (MAO B) in complex with safinamide and two coumarin derivatives, all sharing a common benzyloxy substituent, were determined by X-ray crystallography. These compounds competitively inhibit MAO B with Ki values in the 0.1-0.5 microM range that are 30-700-fold lower than those observed with MAO A. The inhibitors bind noncovalently to MAO B, occupying both the entrance and the substrate cavities and showing a similarly oriented benzyloxy substituent.
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==About this Structure==
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Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.,Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4. PMID:17915852<ref>PMID:17915852</ref>
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2V60 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=FAD:'>FAD</scene> and <scene name='pdbligand=C17:'>C17</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Amine_oxidase_(flavin-containing) Amine oxidase (flavin-containing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.3.4 1.4.3.4] Known structural/functional Sites: <scene name='pdbsite=AC1:Fad Binding Site For Chain A'>AC1</scene>, <scene name='pdbsite=AC2:C17 Binding Site For Chain A'>AC2</scene>, <scene name='pdbsite=AC3:Fad Binding Site For Chain B'>AC3</scene> and <scene name='pdbsite=AC4:C17 Binding Site For Chain B'>AC4</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V60 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs., Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A, J Med Chem. 2007 Oct 4;. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17915852 17915852]
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</div>
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[[Category: Amine oxidase (flavin-containing)]]
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<div class="pdbe-citations 2v60" style="background-color:#fffaf0;"></div>
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[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Binda, C.]]
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[[Category: Caccia, C.]]
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[[Category: Carotti, A.]]
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[[Category: Edmondson, D.E.]]
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[[Category: Mattevi, A.]]
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[[Category: Pisani, L.]]
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[[Category: Salvati, P.]]
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[[Category: Wang, J.]]
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[[Category: C17]]
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[[Category: FAD]]
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[[Category: fad]]
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[[Category: flavoprotein]]
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[[Category: human mao b structure]]
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[[Category: membrane]]
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[[Category: mitochondrion]]
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[[Category: neuroprotection]]
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[[Category: oxidoreductase]]
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[[Category: parkinson's disease]]
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[[Category: reversible inhibitor binding]]
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[[Category: safinamide]]
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[[Category: transmembrane]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:07:23 2008''
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==See Also==
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*[[Monoamine oxidase|Monoamine oxidase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Binda C]]
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[[Category: Caccia C]]
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[[Category: Carotti A]]
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[[Category: Edmondson DE]]
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[[Category: Mattevi A]]
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[[Category: Pisani L]]
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[[Category: Salvati P]]
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[[Category: Wang J]]

Current revision

Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin

PDB ID 2v60

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