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New page: left|200px<br /><applet load="1jt6" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jt6, resolution 2.54Å" /> '''Crystal structure of...
 
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[[Image:1jt6.jpg|left|200px]]<br /><applet load="1jt6" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1jt6, resolution 2.54&Aring;" />
'''Crystal structure of the multidrug binding protein QacR bound to dequalinium'''<br />


==Overview==
==Crystal structure of the multidrug binding protein QacR bound to dequalinium==
The Staphylococcus aureus multidrug binding protein QacR represses, transcription of the qacA multidrug transporter gene and is induced by, structurally diverse cationic lipophilic drugs. Here, we report the, crystal structures of six QacR-drug complexes. Compared to the DNA bound, structure, drug binding elicits a coil-to-helix transition that causes, induction and creates an expansive multidrug-binding pocket, containing, four glutamates and multiple aromatic and polar residues. These structures, indicate the presence of separate but linked drug-binding sites within a, single protein. This multisite drug-binding mechanism is consonant with, studies on multidrug resistance transporters.
<StructureSection load='1jt6' size='340' side='right'caption='[[1jt6]], [[Resolution|resolution]] 2.54&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1jt6]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JT6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JT6 FirstGlance]. <br>
1JT6 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus] with SO4 and DEQ as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JT6 OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.54&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DEQ:DEQUALINIUM'>DEQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1jt6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jt6 OCA], [https://pdbe.org/1jt6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jt6 RCSB], [https://www.ebi.ac.uk/pdbsum/1jt6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jt6 ProSAT]</span></td></tr>
Structural mechanisms of QacR induction and multidrug recognition., Schumacher MA, Miller MC, Grkovic S, Brown MH, Skurray RA, Brennan RG, Science. 2001 Dec 7;294(5549):2158-63. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11739955 11739955]
</table>
[[Category: Single protein]]
== Function ==
[https://www.uniprot.org/uniprot/QACR_STAAU QACR_STAAU] Transcriptional repressor of qacA. Binds to IR1, an unusually long 28 bp operator, which is located downstream from the qacA promoter and overlaps its transcription start site. QacR is induced from its IR1 site by binding to one of many structurally dissimilar cationic lipophilic compounds, which are also substrates of QacA.
== 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/jt/1jt6_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=1jt6 ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Staphylococcus aureus]]
[[Category: Staphylococcus aureus]]
[[Category: Brennan, R.G.]]
[[Category: Brennan RG]]
[[Category: Brown, M.H.]]
[[Category: Brown MH]]
[[Category: Grkovic, S.]]
[[Category: Grkovic S]]
[[Category: Miller, M.C.]]
[[Category: Miller MC]]
[[Category: Schumacher, M.A.]]
[[Category: Schumacher MA]]
[[Category: Skurray, R.A.]]
[[Category: Skurray RA]]
[[Category: DEQ]]
[[Category: SO4]]
[[Category: mulitdrug resistance]]
[[Category: mutlidrug binding recognition]]
[[Category: qacr]]
[[Category: s. aureus]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:33:25 2007''

Latest revision as of 07:42, 7 February 2024

Crystal structure of the multidrug binding protein QacR bound to dequalinium

1jt6, resolution 2.54Å

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