3q5s - Revision history

OCA at 10:45, 21 February 2024

OCA — Wed, 21 Feb 2024 10:45:58 GMT

←Older revision		Revision as of 10:45, 21 February 2024
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	<StructureSection load='3q5s' size='340' side='right'caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>		<StructureSection load='3q5s' size='340' side='right'caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"vibrio_subtilis"_ehrenberg_1835 "vibrio~~ subtilis~~" ehrenberg 1835~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q5s]] 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=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>~~, ~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 3.1Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">bmrR, bmr1R, BSU24020 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1423 "Vibrio subtilis" Ehrenberg 1835])~~</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=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [https://pdbe.org/3q5s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [https://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></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=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [https://pdbe.org/3q5s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [https://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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.	+	[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.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	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.	+
-		+
-	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>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3q5s" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Vibrio~~ subtilis ~~ehrenberg 1835~~]]	+	[[Category: Bacillus subtilis]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bachas, S]]	+	[[Category: Bachas S]]
-	[[Category: Eginton, C]]	+	[[Category: Eginton C]]
-	[[Category: Gunio, G]]	+	[[Category: Gunio G]]
-	[[Category: Wade, H]]	+	[[Category: Wade H]]
-	~~[[Category: Multidrug binding]]~~	+
-	~~[[Category: Multidrug resistance]]~~	+
-	~~[[Category: Transcription regulator]]~~	+
-	~~[[Category: Transcription-dna complex~~]]	+

OCA at 05:52, 8 June 2022

OCA — Wed, 08 Jun 2022 05:52:46 GMT

←Older revision		Revision as of 05:52, 8 June 2022
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	==Crystal structure of BmrR bound to Acetylcholine==		==Crystal structure of BmrR bound to Acetylcholine==
-	<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>	+	<StructureSection load='3q5s' size='340' side='right'caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"vibrio_subtilis"_ehrenberg_1835 "vibrio subtilis" ehrenberg 1835]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"vibrio_subtilis"_ehrenberg_1835 "vibrio subtilis" ehrenberg 1835]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</div></td></tr>
-	<tr id='gene'><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 "Vibrio subtilis" Ehrenberg 1835])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">bmrR, bmr1R, BSU24020 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1423 "Vibrio subtilis" Ehrenberg 1835])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [~~http~~://pdbe.org/3q5s PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></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=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [https://pdbe.org/3q5s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [https://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://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.	+	[[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.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Vibrio subtilis ehrenberg 1835]]		[[Category: Vibrio subtilis ehrenberg 1835]]
		+	[[Category: Large Structures]]
	[[Category: Bachas, S]]		[[Category: Bachas, S]]
	[[Category: Eginton, C]]		[[Category: Eginton, C]]

OCA at 09:11, 8 November 2017

OCA — Wed, 08 Nov 2017 09:11:29 GMT

←Older revision		Revision as of 09:11, 8 November 2017
Line 3:		Line 3:
	<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>		<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"~~bacillus_globigii~~"~~_migula_1900~~ "~~bacillus globigii~~" ~~migula 1900~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"vibrio_subtilis"_ehrenberg_1835 "vibrio subtilis" ehrenberg 1835]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>
-	<tr id='gene'><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 globigii~~" ~~Migula 1900~~])</td></tr>	+	<tr id='gene'><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 "Vibrio subtilis" Ehrenberg 1835])</td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://pdbe.org/3q5s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://pdbe.org/3q5s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></td></tr>
	</table>		</table>
Line 24:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacillus globigii migula 1900~~]]	+	[[Category: Vibrio subtilis ehrenberg 1835]]
	[[Category: Bachas, S]]		[[Category: Bachas, S]]
	[[Category: Eginton, C]]		[[Category: Eginton, C]]

OCA at 15:45, 5 August 2016

OCA — Fri, 05 Aug 2016 15:45:28 GMT

←Older revision		Revision as of 15:45, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of BmrR bound to Acetylcholine==		==Crystal structure of BmrR bound to Acetylcholine==
	<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>		<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q5s]] 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=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q5s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_globigii"_migula_1900 "bacillus globigii" migula 1900]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>
-	<tr id='gene'><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>	+	<tr id='gene'><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 globigii" Migula 1900])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://pdbe.org/3q5s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3q5s ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3q5s" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Bacillus ~~subtilis~~]]	+	[[Category: Bacillus globigii migula 1900]]
	[[Category: Bachas, S]]		[[Category: Bachas, S]]
	[[Category: Eginton, C]]		[[Category: Eginton, C]]

OCA at 20:01, 25 December 2014

OCA — Thu, 25 Dec 2014 20:01:07 GMT

←Older revision		Revision as of 20:01, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3q5s]] 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=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>		<table><tr><td colspan='2'>[[3q5s]] 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=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>
-	<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>	+	<tr id='gene'><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>
-	<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=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://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.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 14:		Line 16:
	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>		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>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, a database of the U.S. National Library of Medicine.<br>	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
	== References ==		== References ==
Line 21:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Bacillus subtilis]]		[[Category: Bacillus subtilis]]
-	[[Category: Bachas, S.]]	+	[[Category: Bachas, S]]
-	[[Category: Eginton, C.]]	+	[[Category: Eginton, C]]
-	[[Category: Gunio, G.]]	+	[[Category: Gunio, G]]
-	[[Category: Wade, H.]]	+	[[Category: Wade, H]]
	[[Category: Multidrug binding]]		[[Category: Multidrug binding]]
	[[Category: Multidrug resistance]]		[[Category: Multidrug resistance]]
	[[Category: Transcription regulator]]		[[Category: Transcription regulator]]
	[[Category: Transcription-dna complex]]		[[Category: Transcription-dna complex]]

OCA at 05:24, 4 June 2014

OCA — Wed, 04 Jun 2014 05:24:11 GMT

←Older revision		Revision as of 05:24, 4 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3q5s.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal structure of BmrR bound to Acetylcholine==
		+	<StructureSection load='3q5s' size='340' side='right' caption='[[3q5s]], [[Resolution\|resolution]] 3.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3q5s]] 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=3Q5S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q5S FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACH:ACETYLCHOLINE'>ACH</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3d6y\|3d6y]], [[3d6z\|3d6z]], [[3q1m\|3q1m]], [[3q2y\|3q2y]], [[3q5p\|3q5p]], [[3q5r\|3q5r]]</td></tr>
		+	<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>
		+	<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=3q5s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q5s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q5s RCSB], [http://www.ebi.ac.uk/pdbsum/3q5s PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	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.

-	~~<!--~~	+	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>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_3q5s"~~, ~~creates the "Structure Box" on the page~~.	+
-	~~You may change the PDB parameter~~ (~~which sets the PDB file loaded into the applet~~)	+
-	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~	+
-	~~or leave the SCENE parameter empty for the default display~~.	+
-	-->	+
-	~~{{STRUCTURE_3q5s\| PDB=3q5s \| SCENE= }}~~	+

-	~~===Crystal structure~~ of ~~BmrR bound to Acetylcholine===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_21690368}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21690368 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21690368}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3q5s]] 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=3Q5S OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021690368<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Bacillus subtilis]]		[[Category: Bacillus subtilis]]
	[[Category: Bachas, S.]]		[[Category: Bachas, S.]]

OCA at 05:29, 20 July 2011

OCA — Wed, 20 Jul 2011 05:29:17 GMT

←Older revision		Revision as of 05:29, 20 July 2011
Line 1:		Line 1:
-	[[Image:3q5s.~~jpg~~\|left\|200px]]	+	[[Image:3q5s.png\|left\|200px]]

	<!--		<!--
Line 11:		Line 11:
	===Crystal structure of BmrR bound to Acetylcholine===		===Crystal structure of BmrR bound to Acetylcholine===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21690368}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21690368 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21690368}}

	==About this Structure==		==About this Structure==
	[[3q5s]] 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=3Q5S OCA].		[[3q5s]] 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=3Q5S OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021690368</ref><references group="xtra"/>
	[[Category: Bacillus subtilis]]		[[Category: Bacillus subtilis]]
	[[Category: Bachas, S.]]		[[Category: Bachas, S.]]

OCA at 06:32, 15 June 2011

OCA — Wed, 15 Jun 2011 06:32:30 GMT

←Older revision		Revision as of 06:32, 15 June 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3q5s.jpg\|left\|200px]]

-	The ~~entry 3q5s~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3q5s", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3q5s\| PDB=3q5s \| SCENE= }}

-	~~Authors: Bachas, S., Eginton, C., Gunio, G., Wade, H.~~	+	===Crystal structure of BmrR bound to Acetylcholine===

-	~~Description: Crystal~~ structure ~~of BmrR bound to Acetylcholine~~	+
		+	==About this Structure==
		+	[[3q5s]] 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=3Q5S OCA].
		+	[[Category: Bacillus subtilis]]
		+	[[Category: Bachas, S.]]
		+	[[Category: Eginton, C.]]
		+	[[Category: Gunio, G.]]
		+	[[Category: Wade, H.]]
		+	[[Category: Multidrug binding]]
		+	[[Category: Multidrug resistance]]
		+	[[Category: Transcription regulator]]
		+	[[Category: Transcription-dna complex]]

OCA at 08:34, 6 April 2011

OCA — Wed, 06 Apr 2011 08:34:34 GMT

←Older revision		Revision as of 08:34, 6 April 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3q5s is ON HOLD	+	The entry 3q5s is ON HOLD until Paper Publication

	Authors: Bachas, S., Eginton, C., Gunio, G., Wade, H.		Authors: Bachas, S., Eginton, C., Gunio, G., Wade, H.

	Description: Crystal structure of BmrR bound to Acetylcholine		Description: Crystal structure of BmrR bound to Acetylcholine

OCA at 06:03, 9 March 2011

OCA — Wed, 09 Mar 2011 06:03:30 GMT

←Older revision		Revision as of 06:03, 9 March 2011
Line 3:		Line 3:
	The entry 3q5s is ON HOLD		The entry 3q5s is ON HOLD

-	Authors: Bachas, S., Eginton, C, Gunio, G, Wade, H	+	Authors: Bachas, S., Eginton, C., Gunio, G., Wade, H.

	Description: Crystal structure of BmrR bound to Acetylcholine		Description: Crystal structure of BmrR bound to Acetylcholine