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2c4v

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(New page: 200px<br /> <applet load="2c4v" size="450" color="white" frame="true" align="right" spinBox="true" caption="2c4v, resolution 2.50&Aring;" /> '''H. PYLORI TYPE II D...)
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[[Image:2c4v.gif|left|200px]]<br />
 
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<applet load="2c4v" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2c4v, resolution 2.50&Aring;" />
 
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'''H. PYLORI TYPE II DHQASE IN COMPLEX WITH CITRATE'''<br />
 
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==Overview==
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==H. pylori type II DHQase in complex with citrate==
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The crystal structures of the type II dehydroquinase (DHQase) from, Helicobacter pylori in complex with three competitive inhibitors have been, determined. The inhibitors are the substrate analogue 2,3-anhydroquinate, (FA1), citrate, and an oxoxanthene sulfonamide derivative (AH9095)., Despite the very different chemical nature of the inhibitors, in each case, the primary point of interaction with the enzyme is via the residues that, bind the C1 functionalities of the substrate, 3-dehydroquinate, i.e., N76, H102, I103, and H104. The DHQase/AH9095 complex crystal structure shows, that sulfonamides can form a scaffold for nonsubstrate-like inhibitors and, identifies a large conserved hydrophobic patch at the entrance to the, active site as a locus that can be exploited in the development of ... [[http://ispc.weizmann.ac.il/pmbin/getpm?16480265 (full description)]]
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<StructureSection load='2c4v' size='340' side='right'caption='[[2c4v]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2c4v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C4V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2C4V 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]] 2.5&#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=CIT:CITRIC+ACID'>CIT</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=2c4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c4v OCA], [https://pdbe.org/2c4v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2c4v RCSB], [https://www.ebi.ac.uk/pdbsum/2c4v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2c4v ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AROQ_HELPY AROQ_HELPY] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
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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/c4/2c4v_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=2c4v 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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The crystal structures of the type II dehydroquinase (DHQase) from Helicobacter pylori in complex with three competitive inhibitors have been determined. The inhibitors are the substrate analogue 2,3-anhydroquinate (FA1), citrate, and an oxoxanthene sulfonamide derivative (AH9095). Despite the very different chemical nature of the inhibitors, in each case the primary point of interaction with the enzyme is via the residues that bind the C1 functionalities of the substrate, 3-dehydroquinate, i.e., N76, H102, I103, and H104. The DHQase/AH9095 complex crystal structure shows that sulfonamides can form a scaffold for nonsubstrate-like inhibitors and identifies a large conserved hydrophobic patch at the entrance to the active site as a locus that can be exploited in the development of new ligands.
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==About this Structure==
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Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design.,Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ J Med Chem. 2006 Feb 23;49(4):1282-90. PMID:16480265<ref>PMID:16480265</ref>
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2C4V is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori]] with CIT as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2C4V 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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Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design., Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ, J Med Chem. 2006 Feb 23;49(4):1282-90. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16480265 16480265]
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</div>
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[[Category: Helicobacter pylori]]
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<div class="pdbe-citations 2c4v" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Lapthorn, A.J.]]
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[[Category: Robinson, D.A.]]
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[[Category: CIT]]
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[[Category: 3-dehydroquinase]]
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[[Category: aromatic amino acid biosynthesis]]
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[[Category: lyase]]
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[[Category: shikimate pathway]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 19:00:03 2007''
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==See Also==
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*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
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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: Helicobacter pylori]]
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[[Category: Large Structures]]
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[[Category: Lapthorn AJ]]
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[[Category: Robinson DA]]

Current revision

H. pylori type II DHQase in complex with citrate

PDB ID 2c4v

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