3bt9

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{{Seed}}
 
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[[Image:3bt9.jpg|left|200px]]
 
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==crystal structure of QacR(E57Q) bound to Dequalinium==
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The line below this paragraph, containing "STRUCTURE_3bt9", creates the "Structure Box" on the page.
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<StructureSection load='3bt9' size='340' side='right'caption='[[3bt9]], [[Resolution|resolution]] 2.75&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'>[[3bt9]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_Mu50 Staphylococcus aureus subsp. aureus Mu50]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BT9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BT9 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.75&#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=DEQ:DEQUALINIUM'>DEQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3bt9| PDB=3bt9 | 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=3bt9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bt9 OCA], [https://pdbe.org/3bt9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bt9 RCSB], [https://www.ebi.ac.uk/pdbsum/3bt9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bt9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/QACR_STAAM QACR_STAAM] 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 (By similarity).
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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/3bt9_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=3bt9 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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The Staphylococcus aureus multidrug binding protein QacR binds to a broad spectrum of structurally dissimilar cationic, lipophilic drugs. Our previous structural analyses suggested that five QacR glutamic acid residues are critical for charge neutralization and specification of certain drugs. For example, E57 and E58 interact with berberine and with one of the positively charged moieties of the bivalent drug dequalinium. Here we report the structural and biochemical effects of substituting E57 and E58 with alanine and glutamine. Unexpectedly, individual substitutions of these residues did not significantly affect QacR drug binding affinity. Structures of QacR(E57Q) and QacR(E58Q) bound to dequalinium indicated that E57 and E58 are redundant for charge neutralization. The most significant finding was that berberine was reoriented in the QacR multidrug binding pocket so that its positive charge was neutralized by side chain oxygen atoms and aromatic residues. Together, these data emphasize the remarkable versatility of the QacR multidrug binding pocket, illustrating that the capacity of QacR to bind myriad cationic drugs is largely governed by the presence in the pocket of a redundancy of polar, charged, and aromatic residues that are capable of electrostatic neutralization.
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===crystal structure of QacR(E57Q) bound to Dequalinium===
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QacR-cation recognition is mediated by a redundancy of residues capable of charge neutralization.,Peters KM, Schuman JT, Skurray RA, Brown MH, Brennan RG, Schumacher MA Biochemistry. 2008 Aug 5;47(31):8122-9. Epub 2008 Jul 11. PMID:18616285<ref>PMID:18616285</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 3bt9" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18616285}}, adds the Publication Abstract to the page
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*[[Tetracycline repressor protein 3D structures|Tetracycline repressor protein 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18616285 is the PubMed ID number.
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*[[Transcriptional activator 3D structures|Transcriptional activator 3D structures]]
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== References ==
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{{ABSTRACT_PUBMED_18616285}}
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<references/>
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__TOC__
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==About this Structure==
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</StructureSection>
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3BT9 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BT9 OCA].
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[[Category: Large Structures]]
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[[Category: Staphylococcus aureus subsp. aureus Mu50]]
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==Reference==
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[[Category: Brennan RG]]
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QacR-cation recognition is mediated by a redundancy of residues capable of charge neutralization., Peters KM, Schuman JT, Skurray RA, Brown MH, Brennan RG, Schumacher MA, Biochemistry. 2008 Aug 5;47(31):8122-9. Epub 2008 Jul 11. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18616285 18616285]
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[[Category: Schuman JT]]
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[[Category: Single protein]]
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[[Category: Shumacher MA]]
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[[Category: Staphylococcus aureus]]
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[[Category: Brennan, R G.]]
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[[Category: Schuman, J T.]]
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[[Category: Shumacher, M A.]]
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[[Category: Bivalent drug]]
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[[Category: Dequalinium]]
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[[Category: Dna-binding]]
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[[Category: Multidrug binding]]
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[[Category: Plasmid]]
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[[Category: Qacr]]
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[[Category: Repressor]]
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[[Category: Transcription]]
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[[Category: Transcription regulation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 13 14:02:13 2008''
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Current revision

crystal structure of QacR(E57Q) bound to Dequalinium

PDB ID 3bt9

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