1s2q: Difference between revisions

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-[[Image:1s2q.png|left|200px]]
-<!--
+==Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)==
-The line below this paragraph, containing "STRUCTURE_1s2q", creates the "Structure Box" on the page.
+<StructureSection load='1s2q' size='340' side='right'caption='[[1s2q]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[1s2q]] 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=1S2Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1S2Q FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.07&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=RAS:(1R)-N-(PROP-2-EN-1-YL)-2,3-DIHYDRO-1H-INDEN-1-AMINE'>RAS</scene></td></tr>
-{{STRUCTURE_1s2q|  PDB=1s2q  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1s2q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s2q OCA], [https://pdbe.org/1s2q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1s2q RCSB], [https://www.ebi.ac.uk/pdbsum/1s2q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1s2q 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/s2/1s2q_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=1s2q ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Monoamine oxidase B (MAO B) is an outer mitochondrial membrane enzyme that catalyzes the oxidation of arylalkylamine neurotransmitters. The crystal structures of MAO B in complex with four of the N-propargylaminoindan class of MAO covalent inhibitors (rasagiline, N-propargyl-1(S)-aminoindan, 6-hydroxy-N-propargyl-1(R)-aminoindan, and N-methyl-N-propargyl-1(R)-aminoindan) have been determined at a resolution of better than 2.1 A. Rasagiline, 6-hydroxy-N-propargyl-1(R)-aminoindan, and N-methyl-N-propargyl-1(R)-aminoindan adopt essentially the same conformation with the extended propargyl chain covalently bound to the flavin and the indan ring located in the rear of the substrate cavity. N-Propargyl-1(S)-aminoindan binds with the indan ring in a flipped conformation with respect to the other inhibitors, which causes a slight movement of the Tyr326 side chain. Four ordered water molecules are an integral part of the active site and establish H-bond interactions to the inhibitor atoms. These structural studies may guide future drug design to improve selectivity and efficacy by introducing appropriate substituents on the rasagiline molecular scaffold.
-===Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)===
+Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class.,Binda C, Hubalek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A J Med Chem. 2004 Mar 25;47(7):1767-74. PMID:15027868<ref>PMID:15027868</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_15027868}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 1s2q" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 15027868 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_15027868}}
-==About this Structure==
-[[1s2q]] is a 2 chain structure of [[Monoamine oxidase]] with 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=1S2Q OCA].
 ==See Also==
-*[[Monoamine oxidase]]
+*[[Monoamine oxidase|Monoamine oxidase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:015027868</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Monoamine oxidase]]
+[[Category: Large Structures]]
-[[Category: Binda, C.]]
+[[Category: Binda C]]
-[[Category: Edmondson, D E.]]
+[[Category: Edmondson DE]]
-[[Category: Herzig, Y.]]
+[[Category: Herzig Y]]
-[[Category: Hubalek, F.]]
+[[Category: Hubalek F]]
-[[Category: Li, M.]]
+[[Category: Li M]]
-[[Category: Mattevi, A.]]
+[[Category: Mattevi A]]
-[[Category: Sterling, J.]]
+[[Category: Sterling J]]
-[[Category: Enantioselectivity]]
-[[Category: Flavin]]
-[[Category: Human monoamine oxidase]]
-[[Category: Inhibitor binding]]
-[[Category: Oxidoreductase]]
-[[Category: Rasagiline]]