3g3e: Difference between revisions

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[[Image:3g3e.png|left|200px]]


{{STRUCTURE_3g3e| PDB=3g3e | SCENE= }}
==Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)==
<StructureSection load='3g3e' size='340' side='right'caption='[[3g3e]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3g3e]] is a 4 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=3G3E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G3E FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#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=G3E:3-HYDROXYQUINOLIN-2(1H)-ONE'>G3E</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=3g3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g3e OCA], [https://pdbe.org/3g3e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g3e RCSB], [https://www.ebi.ac.uk/pdbsum/3g3e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g3e ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/OXDA_HUMAN OXDA_HUMAN] Regulates the level of the neuromodulator D-serine in the brain. Has high activity towards D-DOPA and contributes to dopamine synthesis. Could act as a detoxifying agent which removes D-amino acids accumulated during aging. Acts on a variety of D-amino acids with a preference for those having small hydrophobic side chains followed by those bearing polar, aromatic, and basic groups. Does not act on acidic amino acids.<ref>PMID:17303072</ref>
== 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/g3/3g3e_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=3g3e ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
3-Hydroxyquinolin-2(1H)-one (2) was discovered by high throughput screening in a functional assay to be a potent inhibitor of human DAAO, and its binding affinity was confirmed in a Biacore assay. Cocrystallization of 2 with the human DAAO enzyme defined the binding site and guided the design of new analogues. The SAR, pharmacokinetics, brain exposure, and effects on cerebellum D-serine are described. Subsequent evaluation against the rat DAAO enzyme revealed a divergent SAR versus the human enzyme and may explain the high exposures of drug necessary to achieve significant changes in rat or mouse cerebellum D-serine.


===Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)===
Discovery, SAR, and pharmacokinetics of a novel 3-Hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors.,Duplantier AJ, Becker SL, Bohanon MJ, Borzilleri KA, Chrunyk BA, Downs JT, Hu LY, El-Kattan A, James LC, Liu S, Lu J, Maklad N, Mansour MN, Mente S, Piotrowski MA, Sakya SM, Sheehan S, Steyn SJ, Strick CA, Williams VA, Zhang L J Med Chem. 2009 Jun 11;52(11):3576-85. PMID:19438227<ref>PMID:19438227</ref>


{{ABSTRACT_PUBMED_19438227}}
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3g3e" style="background-color:#fffaf0;"></div>


==About this Structure==
==See Also==
[[3g3e]] is a 4 chain structure 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=3G3E OCA].
*[[Amino acid oxidase 3D structures|Amino acid oxidase 3D structures]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:019438227</ref><references group="xtra"/>
__TOC__
[[Category: D-amino-acid oxidase]]
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Duplantier, A.]]
[[Category: Large Structures]]
[[Category: Liu, S.]]
[[Category: Duplantier A]]
[[Category: D-amino acid oxidase]]
[[Category: Liu S]]
[[Category: Fad]]
[[Category: Flavoprotein]]
[[Category: Oxidoreductase]]
[[Category: Peroxisome]]

Latest revision as of 06:58, 6 September 2023

Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)

3g3e, resolution 2.20Å

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