3q1m

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[[Image:3q1m.png|left|200px]]
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==Crystal Structure of BmrR Dimer bound to DNA and the ligand 4-amino-quinaldine==
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<StructureSection load='3q1m' size='340' side='right' caption='[[3q1m]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3q1m]] 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=3Q1M OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q1M FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=M4A:2-METHYLQUINOLIN-4-AMINE'>M4A</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3d6y|3d6y]], [[3d6z|3d6z]], [[3d70|3d70]], [[1exi|1exi]], [[1exj|1exj]], [[3q2y|3q2y]], [[3q5p|3q5p]], [[3q5r|3q5r]], [[3q5s|3q5s]]</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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q1m OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q1m RCSB], [http://www.ebi.ac.uk/pdbsum/3q1m PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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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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The line below this paragraph, containing "STRUCTURE_3q1m", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_3q1m| PDB=3q1m | SCENE= }}
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===Crystal Structure of BmrR Dimer bound to DNA and the ligand 4-amino-quinaldine===
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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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The line below this paragraph, {{ABSTRACT_PUBMED_21690368}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 21690368 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_21690368}}
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==About this Structure==
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[[3q1m]] 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=3Q1M OCA].
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==Reference==
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<ref group="xtra">PMID:021690368</ref><references group="xtra"/>
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[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
[[Category: Bachas, S.]]
[[Category: Bachas, S.]]

Revision as of 05:32, 4 June 2014

Crystal Structure of BmrR Dimer bound to DNA and the ligand 4-amino-quinaldine

3q1m, resolution 3.20Å

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