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{{STRUCTURE_3oex|  PDB=3oex  |  SCENE=  }}
===Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium with close loop conformation.===
{{ABSTRACT_PUBMED_21291284}}


==About this Structure==
==Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium with close loop conformation.==
[[3oex]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_typhimurium Salmonella enterica subsp. enterica serovar typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OEX OCA].  
<StructureSection load='3oex' size='340' side='right'caption='[[3oex]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3oex]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium Salmonella enterica subsp. enterica serovar Typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OEX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3OEX 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]] 1.9&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=3oex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3oex OCA], [https://pdbe.org/3oex PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3oex RCSB], [https://www.ebi.ac.uk/pdbsum/3oex PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3oex ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/AROD_SALTY AROD_SALTY]
== 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/oe/3oex_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=3oex ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Dehydroquinate dehydratase (DHQD) catalyzes the third step in the biosynthetic shikimate pathway. We present three crystal structures of the Salmonella enterica type I DHQD that address the functionality of a surface loop that is observed to close over the active site following substrate binding. Two wild-type structures with differing loop conformations and kinetic and structural studies of a mutant provide evidence of both direct and indirect mechanisms of involvement of the loop in substrate binding. In addition to allowing amino acid side chains to establish a direct interaction with the substrate, closure of the loop necessitates a conformational change of a key active site arginine, which in turn positions the substrate productively. The absence of DHQD in humans and its essentiality in many pathogenic bacteria make the enzyme a target for the development of nontoxic antimicrobials. The structures and ligand binding insights presented here may inform the design of novel type I DHQD inhibiting molecules.


==Reference==
A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding.,Light SH, Minasov G, Shuvalova L, Peterson SN, Caffrey M, Anderson WF, Lavie A Biochemistry. 2011 Mar 29;50(12):2357-63. Epub 2011 Feb 21. PMID:21291284<ref>PMID:21291284</ref>
<ref group="xtra">PMID:021291284</ref><references group="xtra"/><references/>
 
[[Category: 3-dehydroquinate dehydratase]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Salmonella enterica subsp. enterica serovar typhimurium]]
</div>
[[Category: Anderson, W F.]]
<div class="pdbe-citations 3oex" style="background-color:#fffaf0;"></div>
[[Category: CSGID, Center for Structural Genomics of Infectious Diseases.]]
 
[[Category: Light, S H.]]
==See Also==
[[Category: Minasov, G.]]
*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
[[Category: Papazisi, L.]]
== References ==
[[Category: Shuvalova, L.]]
<references/>
[[Category: Center for structural genomics of infectious disease]]
__TOC__
[[Category: Csgid]]
</StructureSection>
[[Category: Lyase]]
[[Category: Large Structures]]
[[Category: Structural genomic]]
[[Category: Salmonella enterica subsp. enterica serovar Typhimurium]]
[[Category: Tim barrel]]
[[Category: Anderson WF]]
[[Category: Light SH]]
[[Category: Minasov G]]
[[Category: Papazisi L]]
[[Category: Shuvalova L]]
Retrieved from "https://proteopedia.org/3oex"