2xh1

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[[Image:2xh1.png|left|200px]]
 
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==Crystal structure of human KAT II-inhibitor complex==
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The line below this paragraph, containing "STRUCTURE_2xh1", creates the "Structure Box" on the page.
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<StructureSection load='2xh1' size='340' side='right'caption='[[2xh1]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2xh1]] 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=2XH1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XH1 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]] 2.1&#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=BF5:(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE'>BF5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene></td></tr>
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{{STRUCTURE_2xh1| PDB=2xh1 | SCENE= }}
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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=2xh1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xh1 OCA], [https://pdbe.org/2xh1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xh1 RCSB], [https://www.ebi.ac.uk/pdbsum/2xh1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xh1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AADAT_HUMAN AADAT_HUMAN] Transaminase with broad substrate specificity. Has transaminase activity towards aminoadipate, kynurenine, methionine and glutamate. Shows activity also towards tryptophan, aspartate and hydroxykynurenine. Accepts a variety of oxo-acids as amino-group acceptors, with a preference for 2-oxoglutarate, 2-oxocaproic acid, phenylpyruvate and alpha-oxo-gamma-methiol butyric acid. Can also use glyoxylate as amino-group acceptor (in vitro).<ref>PMID:18620547</ref>
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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/xh/2xh1_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=2xh1 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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Fluctuations in the brain levels of the neuromodulator kynurenic acid may control cognitive processes and play a causative role in several catastrophic brain diseases. Elimination of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II reduces cerebral kynurenic acid synthesis and has procognitive effects. The present description of the crystal structure of human kynurenine aminotransferase II in complex with its potent and specific primary amine-bearing fluoroquinolone inhibitor (S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methyl-6-oxo-2,3-dihydro-6H-1 -oxa-3a-azaphenalene-5-carboxylic acid (BFF-122) should facilitate the structure-based development of cognition-enhancing drugs. From a medicinal chemistry perspective our results demonstrate that the issue of inhibitor specificity for highly conserved PLP-dependent enzymes could be successfully addressed.
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===CRYSTAL STRUCTURE OF HUMAN KAT II-INHIBITOR COMPLEX===
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Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement.,Rossi F, Valentina C, Garavaglia S, Sathyasaikumar KV, Schwarcz R, Kojima S, Okuwaki K, Ono S, Kajii Y, Rizzi M J Med Chem. 2010 Aug 12;53(15):5684-9. PMID:20684605<ref>PMID:20684605</ref>
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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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The line below this paragraph, {{ABSTRACT_PUBMED_20684605}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2xh1" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20684605 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20684605}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[2xh1]] is a 2 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=2XH1 OCA].
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==Reference==
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<ref group="xtra">PMID:020684605</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Casazza, V.]]
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[[Category: Large Structures]]
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[[Category: Garavaglia, S.]]
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[[Category: Casazza V]]
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[[Category: Kajii, Y.]]
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[[Category: Garavaglia S]]
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[[Category: Kojima, S I.]]
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[[Category: Kajii Y]]
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[[Category: Okuwaki, K.]]
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[[Category: Kojima SI]]
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[[Category: Ono, S I.]]
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[[Category: Okuwaki K]]
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[[Category: Rizzi, M.]]
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[[Category: Ono SI]]
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[[Category: Rossi, F.]]
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[[Category: Rizzi M]]
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[[Category: Sathyasaikumar, K V.]]
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[[Category: Rossi F]]
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[[Category: Schwarcz, R.]]
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[[Category: Sathyasaikumar KV]]
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[[Category: Covalent inhibition]]
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[[Category: Schwarcz R]]
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[[Category: Transferase]]
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Current revision

Crystal structure of human KAT II-inhibitor complex

PDB ID 2xh1

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