3q2y

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==Crystal Structure of BmrR bound to ethidium==
==Crystal Structure of BmrR bound to ethidium==
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<StructureSection load='3q2y' size='340' side='right' caption='[[3q2y]], [[Resolution|resolution]] 2.95&Aring;' scene=''>
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<StructureSection load='3q2y' size='340' side='right'caption='[[3q2y]], [[Resolution|resolution]] 2.95&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3q2y]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q2Y OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q2Y FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3q2y]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q2Y OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q2Y FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ET:ETHIDIUM'>ET</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>
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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]] 2.95&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3d6y|3d6y]], [[3d6z|3d6z]], [[3q1m|3q1m]], [[3q5p|3q5p]], [[3q5r|3q5r]], [[3q5s|3q5s]]</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=ET:ETHIDIUM'>ET</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">bmrR, bmr1R, BSU24020 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1423 Bacillus subtilis])</td></tr>
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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=3q2y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q2y OCA], [https://pdbe.org/3q2y PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q2y RCSB], [https://www.ebi.ac.uk/pdbsum/3q2y PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q2y ProSAT]</span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q2y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q2y OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q2y RCSB], [http://www.ebi.ac.uk/pdbsum/3q2y PDBsum]</span></td></tr>
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</table>
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<table>
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== Function ==
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<div style="background-color:#fffaf0;">
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[https://www.uniprot.org/uniprot/BMRR_BACSU BMRR_BACSU] Activates transcription of the bmr gene in response to structurally dissimilar drugs. Binds rhodamine as an inducer.
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== Publication Abstract from PubMed ==
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Current views of multidrug (MD) recognition focus on large drug-binding cavities with flexible elements. However, MD recognition in BmrR is supported by a small, rigid drug-binding pocket. Here, a detailed description of MD binding by the noncanonical BmrR protein is offered through the combined use of X-ray and solution studies. Low shape complementarity, suboptimal packing, and efficient burial of a diverse set of ligands is facilitated by an aromatic docking platform formed by a set of conformationally fixed aromatic residues, hydrophobic pincer pair that locks the different drug structures on the adaptable platform surface, and a trio of acidic residues that enables cation selectivity without much regard to ligand structure. Within the binding pocket is a set of BmrR-derived H-bonding donor and acceptors that solvate a wide range of ligand polar substituent arrangements in a manner analogous to aqueous solvent. Energetic analyses of MD binding by BmrR are consistent with structural data. A common binding orientation for the different BmrR ligands is in line with promiscuous allosteric regulation.
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Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR.,Bachas S, Eginton C, Gunio D, Wade H Proc Natl Acad Sci U S A. 2011 Jul 5;108(27):11046-51. Epub 2011 Jun 20. PMID:21690368<ref>PMID:21690368</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
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[[Category: Bachas, S.]]
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[[Category: Large Structures]]
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[[Category: Eginton, C.]]
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[[Category: Bachas S]]
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[[Category: Gunio, G.]]
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[[Category: Eginton C]]
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[[Category: Wade, H.]]
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[[Category: Gunio G]]
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[[Category: Multidrug binding]]
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[[Category: Wade H]]
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[[Category: Multidrug resistance]]
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[[Category: Protein dna complex]]
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[[Category: Transciption factor]]
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[[Category: Transcription regulator]]
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[[Category: Transcription-dna complex]]
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Current revision

Crystal Structure of BmrR bound to ethidium

PDB ID 3q2y

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