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2bt4
From Proteopedia
(Difference between revisions)
(New page: 200px<br /> <applet load="2bt4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2bt4, resolution 1.70Å" /> '''TYPE II DEHYDROQUIN...) |
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| - | [[Image:2bt4.gif|left|200px]]<br /> | ||
| - | <applet load="2bt4" size="450" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="2bt4, resolution 1.70Å" /> | ||
| - | '''TYPE II DEHYDROQUINASE INHIBITOR COMPLEX'''<br /> | ||
| - | == | + | ==Type II Dehydroquinase inhibitor complex== |
| - | Selective inhibitors of type II dehydroquinase were rationally designed to | + | <StructureSection load='2bt4' size='340' side='right'caption='[[2bt4]], [[Resolution|resolution]] 1.70Å' scene=''> |
| + | == Structural highlights == | ||
| + | <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> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7Å</td></tr> | ||
| + | <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> | ||
| + | <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> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/AROQ_STRCO AROQ_STRCO] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169] | ||
| + | == 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/bt/2bt4_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=2bt4 ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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. | ||
| - | + | 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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 2bt4" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Streptomyces coelicolor]] | ||
| + | [[Category: Abell C]] | ||
| + | [[Category: Coggins JR]] | ||
| + | [[Category: Lapthorn AJ]] | ||
| + | [[Category: Stewart KA]] | ||
| + | [[Category: Toscano MD]] | ||
Current revision
Type II Dehydroquinase inhibitor complex
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