2v61: Difference between revisions

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[[Image:2v61.gif|left|200px]]


{{Structure
==Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin==
|PDB= 2v61 |SIZE=350|CAPTION= <scene name='initialview01'>2v61</scene>, resolution 1.70&Aring;
<StructureSection load='2v61' size='340' side='right'caption='[[2v61]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:Fad+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:C18+Binding+Site+For+Chain+A'>AC2</scene>, <scene name='pdbsite=AC3:Fad+Binding+Site+For+Chain+B'>AC3</scene> and <scene name='pdbsite=AC4:C18+Binding+Site+For+Chain+B'>AC4</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=C18:7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE'>C18</scene>
<table><tr><td colspan='2'>[[2v61]] 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=2V61 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2V61 FirstGlance]. <br>
|ACTIVITY= [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]  
</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>
|GENE=  
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C18:7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE'>C18</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
}}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2v61 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2v61 OCA], [https://pdbe.org/2v61 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2v61 RCSB], [https://www.ebi.ac.uk/pdbsum/2v61 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2v61 ProSAT]</span></td></tr>
</table>
== Function ==
[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.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/v6/2v61_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=2v61 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.


'''STRUCTURE OF HUMAN MAO B IN COMPLEX WITH THE SELECTIVE INHIBITOR 7-(3-CHLOROBENZYLOXY)-4-(METHYLAMINO)METHYL-COUMARIN'''
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>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2v61" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
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.
*[[Monoamine oxidase|Monoamine oxidase]]
 
== References ==
==About this Structure==
<references/>
2V61 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V61 OCA].
__TOC__
 
</StructureSection>
==Reference==
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:[http://www.ncbi.nlm.nih.gov/pubmed/17915852 17915852]
[[Category: Amine oxidase (flavin-containing)]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Binda, C.]]
[[Category: Binda C]]
[[Category: Caccia, C.]]
[[Category: Caccia C]]
[[Category: Carotti, A.]]
[[Category: Carotti A]]
[[Category: Edmondson, D E.]]
[[Category: Edmondson DE]]
[[Category: Mattevi, A.]]
[[Category: Mattevi A]]
[[Category: Pisani, L.]]
[[Category: Pisani L]]
[[Category: Salvati, P.]]
[[Category: Salvati P]]
[[Category: Wang, J.]]
[[Category: Wang J]]
[[Category: C18]]
[[Category: FAD]]
[[Category: fad]]
[[Category: flavoprotein]]
[[Category: human mao b structure]]
[[Category: membrane]]
[[Category: mitochondrion]]
[[Category: neuroprotection]]
[[Category: oxidoreductase]]
[[Category: parkinson's disease]]
[[Category: reversible inhibitor binding]]
[[Category: safinamide]]
[[Category: transmembrane]]
 
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Retrieved from "https://proteopedia.org/2v61"