2bt4

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[[Image:2bt4.png|left|200px]]
 
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==Type II Dehydroquinase inhibitor complex==
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The line below this paragraph, containing "STRUCTURE_2bt4", creates the "Structure Box" on the page.
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<StructureSection load='2bt4' size='340' side='right'caption='[[2bt4]], [[Resolution|resolution]] 1.70&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'>[[2bt4]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BT4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BT4 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]] 1.7&#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=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
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{{STRUCTURE_2bt4| PDB=2bt4 | 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=2bt4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bt4 OCA], [https://pdbe.org/2bt4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bt4 RCSB], [https://www.ebi.ac.uk/pdbsum/2bt4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bt4 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AROQ_STRCO AROQ_STRCO] 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/bt/2bt4_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=2bt4 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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Selective inhibitors of type II dehydroquinase were rationally designed to explore a second binding-pocket in the active-site. The molecular modelling, synthesis, inhibition studies and crystal structure determination are described.
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===TYPE II DEHYDROQUINASE INHIBITOR COMPLEX===
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Rational design of new bifunctional inhibitors of type II dehydroquinase.,Toscano MD, Stewart KA, Coggins JR, Lapthorn AJ, Abell C Org Biomol Chem. 2005 Sep 7;3(17):3102-4. Epub 2005 Aug 1. PMID:16106291<ref>PMID:16106291</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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<div class="pdbe-citations 2bt4" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_16106291}}, adds the Publication Abstract to the page
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*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 16106291 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_16106291}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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[[2bt4]] is a 12 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BT4 OCA].
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==Reference==
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<ref group="xtra">PMID:16106291</ref><ref group="xtra">PMID:11937054</ref><references group="xtra"/>
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[[Category: 3-dehydroquinate dehydratase]]
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[[Category: Streptomyces coelicolor]]
[[Category: Streptomyces coelicolor]]
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[[Category: Abell, C.]]
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[[Category: Abell C]]
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[[Category: Coggins, J R.]]
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[[Category: Coggins JR]]
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[[Category: Lapthorn, A J.]]
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[[Category: Lapthorn AJ]]
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[[Category: Stewart, K A.]]
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[[Category: Stewart KA]]
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[[Category: Toscano, M D.]]
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[[Category: Toscano MD]]
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[[Category: Amino-acid biosynthesis]]
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[[Category: Aromatic amino acid biosynthesis]]
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[[Category: Dehydroquinase]]
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[[Category: Dehydroquinate]]
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[[Category: Drug design]]
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[[Category: Lyase]]
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[[Category: Shikimate pathway]]
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Current revision

Type II Dehydroquinase inhibitor complex

PDB ID 2bt4

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OCA

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