2bt4: Difference between revisions

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New page: left|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 1.70&Aring;" />
'''TYPE II DEHYDROQUINASE INHIBITOR COMPLEX'''<br />


==Overview==
==Type II Dehydroquinase inhibitor complex==
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.
<StructureSection load='2bt4' size='340' side='right'caption='[[2bt4]], [[Resolution|resolution]] 1.70&Aring;' 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]] 1.7&#8491;</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.


==About this Structure==
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>
2BT4 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]] with PO4, CA2, TRS and GOL as [[http://en.wikipedia.org/wiki/ligands ligands]]. 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=2BT4 OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16106291 16106291]
</div>
[[Category: Single protein]]
<div class="pdbe-citations 2bt4" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Streptomyces coelicolor]]
[[Category: Streptomyces coelicolor]]
[[Category: Abell, C.]]
[[Category: Abell C]]
[[Category: Coggins, J.R.]]
[[Category: Coggins JR]]
[[Category: Lapthorn, A.J.]]
[[Category: Lapthorn AJ]]
[[Category: Stewart, K.A.]]
[[Category: Stewart KA]]
[[Category: Toscano, M.D.]]
[[Category: Toscano MD]]
[[Category: CA2]]
[[Category: GOL]]
[[Category: PO4]]
[[Category: TRS]]
[[Category: amino-acid biosynthesis]]
[[Category: aromatic amino acid biosynthesis]]
[[Category: dehydroquinase]]
[[Category: dehydroquinate]]
[[Category: drug design]]
[[Category: lyase]]
[[Category: shikimate pathway]]
 
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Retrieved from "https://proteopedia.org/2bt4"