3q0w - Revision history

OCA at 10:45, 21 February 2024

OCA — Wed, 21 Feb 2024 10:45:07 GMT

←Older revision		Revision as of 10:45, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3q0w' size='340' side='right'caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='3q0w' size='340' side='right'caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</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]] 1.6Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [https://pdbe.org/3q0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [https://www.ebi.ac.uk/pdbsum/3q0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q0w 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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [https://pdbe.org/3q0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [https://www.ebi.ac.uk/pdbsum/3q0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q0w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>	+	[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Ethionamide is an antituberculous drug for the treatment of multidrug-resistant Mycobacterium tuberculosis. This antibiotic requires activation by the monooxygenase EthA to exert its activity. Production of EthA is controlled by the transcriptional repressor EthR, a member of the TetR family. The sensitivity of M. tuberculosis to ethionamide can be artificially enhanced using synthetic ligands of EthR that allosterically inactivate its DNA-binding activity. Comparison of several structures of EthR co-crystallized with various ligands suggested that the structural reorganization of EthR resulting in its inactivation is controlled by a limited portion of the ligand-binding-pocket. In silico simulation predicted that mutation G106W may mimic ligands. X-ray crystallography of variant G106W indeed revealed a protein structurally similar to ligand-bound EthR. Surface plasmon resonance experiments established that this variant is unable to bind DNA, while thermal shift studies demonstrated that mutation G106W stabilizes EthR as strongly as ligands. Proton NMR of the methyl regions showed a lesser contribution of exchange broadening upon ligand binding, and the same quenched dynamics was observed in apo-variant G106W. Altogether, we here show that the area surrounding Gly106 constitutes the molecular switch involved in the conformational reorganization of EthR. These results also shed light on the mechanistic of ligand-induced allosterism controlling the DNA binding properties of TetR family repressors.	+
-		+
-	Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.,Carette X, Blondiaux N, Willery E, Hoos S, Lecat-Guillet N, Lens Z, Wohlkonig A, Wintjens R, Soror SH, Frenois F, Dirie B, Villeret V, England P, Lippens G, Deprez B, Locht C, Willand N, Baulard AR Nucleic Acids Res. 2011 Dec 9. PMID:22156370<ref>PMID:22156370</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3q0w" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 28:		Line 18:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Baulard, A]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Brodin, P]]	+	[[Category: Baulard A]]
-	[[Category: Carette, X]]	+	[[Category: Brodin P]]
-	[[Category: Christophe, T]]	+	[[Category: Carette X]]
-	[[Category: Demirkaya, F]]	+	[[Category: Christophe T]]
-	[[Category: Deprez, B]]	+	[[Category: Demirkaya F]]
-	[[Category: Desrose, M]]	+	[[Category: Deprez B]]
-	[[Category: Dirie, B]]	+	[[Category: Desrose M]]
-	[[Category: Flipo, M]]	+	[[Category: Dirie B]]
-	[[Category: Jeon~~, H K~~]]	+	[[Category: Flipo M]]
-	[[Category: Lens, Z]]	+	[[Category: Jeon HK]]
-	[[Category: Leroux, F]]	+	[[Category: Lens Z]]
-	[[Category: Locht, C]]	+	[[Category: Leroux F]]
-	[[Category: Piveteau, C]]	+	[[Category: Locht C]]
-	[[Category: Rucktooa, P]]	+	[[Category: Piveteau C]]
-	[[Category: Villeret, V]]	+	[[Category: Rucktooa P]]
-	[[Category: Willand, N]]	+	[[Category: Villeret V]]
-	~~[[Category: Tetr family]]~~	+	[[Category: Willand N]]
-	~~[[Category: Transcription-transcription inhibitor complex]]~~	+
-	~~[[Category: Transcriptional repressor~~]]	+

OCA at 09:05, 25 May 2022

OCA — Wed, 25 May 2022 09:05:11 GMT

←Older revision		Revision as of 09:05, 25 May 2022
Line 1:		Line 1:

	==ETHR From mycobacterium tuberculosis in complex with compound BDM33066==		==ETHR From mycobacterium tuberculosis in complex with compound BDM33066==
-	<StructureSection load='3q0w' size='340' side='right' caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>	+	<StructureSection load='3q0w' size='340' side='right'caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [~~http~~://pdbe.org/3q0w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3q0w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3q0w 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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [https://pdbe.org/3q0w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [https://www.ebi.ac.uk/pdbsum/3q0w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q0w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>	+	[[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 3q0w" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3q0w" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tetracycline repressor protein 3D structures\|Tetracycline repressor protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Baulard, A]]		[[Category: Baulard, A]]
	[[Category: Brodin, P]]		[[Category: Brodin, P]]

OCA at 12:40, 4 August 2016

OCA — Thu, 04 Aug 2016 12:40:05 GMT

←Older revision		Revision as of 12:40, 4 August 2016
Line 1:		Line 1:
		+
	==ETHR From mycobacterium tuberculosis in complex with compound BDM33066==		==ETHR From mycobacterium tuberculosis in complex with compound BDM33066==
	<StructureSection load='3q0w' size='340' side='right' caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='3q0w' size='340' side='right' caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium~~ tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 ~~Mycobacterium~~ tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [http://www.ebi.ac.uk/pdbsum/3q0w 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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [http://pdbe.org/3q0w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [http://www.ebi.ac.uk/pdbsum/3q0w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3q0w 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 3q0w" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Baulard, A]]		[[Category: Baulard, A]]
	[[Category: Brodin, P]]		[[Category: Brodin, P]]

OCA at 14:37, 24 December 2014

OCA — Wed, 24 Dec 2014 14:37:11 GMT

←Older revision		Revision as of 14:37, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>		<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [http://www.ebi.ac.uk/pdbsum/3q0w 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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [http://www.ebi.ac.uk/pdbsum/3q0w PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 14:		Line 16:
	Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.,Carette X, Blondiaux N, Willery E, Hoos S, Lecat-Guillet N, Lens Z, Wohlkonig A, Wintjens R, Soror SH, Frenois F, Dirie B, Villeret V, England P, Lippens G, Deprez B, Locht C, Willand N, Baulard AR Nucleic Acids Res. 2011 Dec 9. PMID:22156370<ref>PMID:22156370</ref>		Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.,Carette X, Blondiaux N, Willery E, Hoos S, Lecat-Guillet N, Lens Z, Wohlkonig A, Wintjens R, Soror SH, Frenois F, Dirie B, Villeret V, England P, Lippens G, Deprez B, Locht C, Willand N, Baulard AR Nucleic Acids Res. 2011 Dec 9. PMID:22156370<ref>PMID:22156370</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: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Baulard, A.]]	+	[[Category: Baulard, A]]
-	[[Category: Brodin, P.]]	+	[[Category: Brodin, P]]
-	[[Category: Carette, X.]]	+	[[Category: Carette, X]]
-	[[Category: Christophe, T.]]	+	[[Category: Christophe, T]]
-	[[Category: Demirkaya, F.]]	+	[[Category: Demirkaya, F]]
-	[[Category: Deprez, B.]]	+	[[Category: Deprez, B]]
-	[[Category: Desrose, M.]]	+	[[Category: Desrose, M]]
-	[[Category: Dirie, B.]]	+	[[Category: Dirie, B]]
-	[[Category: Flipo, M.]]	+	[[Category: Flipo, M]]
-	[[Category: Jeon, H K.]]	+	[[Category: Jeon, H K]]
-	[[Category: Lens, Z.]]	+	[[Category: Lens, Z]]
-	[[Category: Leroux, F.]]	+	[[Category: Leroux, F]]
-	[[Category: Locht, C.]]	+	[[Category: Locht, C]]
-	[[Category: Piveteau, C.]]	+	[[Category: Piveteau, C]]
-	[[Category: Rucktooa, P.]]	+	[[Category: Rucktooa, P]]
-	[[Category: Villeret, V.]]	+	[[Category: Villeret, V]]
-	[[Category: Willand, N.]]	+	[[Category: Willand, N]]
	[[Category: Tetr family]]		[[Category: Tetr family]]
	[[Category: Transcription-transcription inhibitor complex]]		[[Category: Transcription-transcription inhibitor complex]]
	[[Category: Transcriptional repressor]]		[[Category: Transcriptional repressor]]

OCA at 05:20, 4 June 2014

OCA — Wed, 04 Jun 2014 05:20:44 GMT

←Older revision		Revision as of 05:20, 4 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3q0w.~~png~~\|~~left~~\|~~200px~~]]	+	==ETHR From mycobacterium tuberculosis in complex with compound BDM33066==
		+	<StructureSection load='3q0w' size='340' side='right' caption='[[3q0w]], [[Resolution\|resolution]] 1.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q0W FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LL5:(2S)-2-AMINO-3-METHYL-1-{4-[3-(THIOPHEN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDIN-1-YL}BUTAN-1-ONE'>LL5</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o8g\|3o8g]], [[3o8l\|3o8l]], [[3g1m\|3g1m]], [[3g1l\|3g1l]], [[3g1o\|3g1o]], [[1u9n\|1u9n]], [[3q0u\|3q0u]], [[3q0v\|3q0v]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, etaR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</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=3q0w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q0w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q0w RCSB], [http://www.ebi.ac.uk/pdbsum/3q0w PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Ethionamide is an antituberculous drug for the treatment of multidrug-resistant Mycobacterium tuberculosis. This antibiotic requires activation by the monooxygenase EthA to exert its activity. Production of EthA is controlled by the transcriptional repressor EthR, a member of the TetR family. The sensitivity of M. tuberculosis to ethionamide can be artificially enhanced using synthetic ligands of EthR that allosterically inactivate its DNA-binding activity. Comparison of several structures of EthR co-crystallized with various ligands suggested that the structural reorganization of EthR resulting in its inactivation is controlled by a limited portion of the ligand-binding-pocket. In silico simulation predicted that mutation G106W may mimic ligands. X-ray crystallography of variant G106W indeed revealed a protein structurally similar to ligand-bound EthR. Surface plasmon resonance experiments established that this variant is unable to bind DNA, while thermal shift studies demonstrated that mutation G106W stabilizes EthR as strongly as ligands. Proton NMR of the methyl regions showed a lesser contribution of exchange broadening upon ligand binding, and the same quenched dynamics was observed in apo-variant G106W. Altogether, we here show that the area surrounding Gly106 constitutes the molecular switch involved in the conformational reorganization of EthR. These results also shed light on the mechanistic of ligand-induced allosterism controlling the DNA binding properties of TetR family repressors.

-	~~<!-~~-	+	Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.,Carette X, Blondiaux N, Willery E, Hoos S, Lecat-Guillet N, Lens Z, Wohlkonig A, Wintjens R, Soror SH, Frenois F, Dirie B, Villeret V, England P, Lippens G, Deprez B, Locht C, Willand N, Baulard AR Nucleic Acids Res. 2011 Dec 9. PMID:22156370<ref>PMID:22156370</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_3q0w"~~, ~~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_3q0w\| PDB=3q0w \| SCENE= }}~~	+

-	~~===ETHR~~ From ~~mycobacterium tuberculosis in complex with compound BDM33066===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph~~, ~~{{ABSTRACT_PUBMED_22156370}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 22156370 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_22156370}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3q0w]] is a 1 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:022156370<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Baulard, A.]]		[[Category: Baulard, A.]]

OCA at 07:59, 25 April 2012

OCA — Wed, 25 Apr 2012 07:59:50 GMT

←Older revision		Revision as of 07:59, 25 April 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3q0w.png\|left\|200px]]

-	The ~~entry 3q0w~~ is ~~ON HOLD~~ ~~until Dec 21 2012~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3q0w", 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_3q0w\| PDB=3q0w \| SCENE= }}

-	Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.	+	===ETHR From mycobacterium tuberculosis in complex with compound BDM33066===

-	~~Description~~: ~~ETHR From mycobacterium~~ tuberculosis in complex ~~with compound BDM33066~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22156370}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22156370 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22156370}}
		+
		+	==About this Structure==
		+	[[3q0w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q0W OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022156370</ref><references group="xtra"/>
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Baulard, A.]]
		+	[[Category: Brodin, P.]]
		+	[[Category: Carette, X.]]
		+	[[Category: Christophe, T.]]
		+	[[Category: Demirkaya, F.]]
		+	[[Category: Deprez, B.]]
		+	[[Category: Desrose, M.]]
		+	[[Category: Dirie, B.]]
		+	[[Category: Flipo, M.]]
		+	[[Category: Jeon, H K.]]
		+	[[Category: Lens, Z.]]
		+	[[Category: Leroux, F.]]
		+	[[Category: Locht, C.]]
		+	[[Category: Piveteau, C.]]
		+	[[Category: Rucktooa, P.]]
		+	[[Category: Villeret, V.]]
		+	[[Category: Willand, N.]]
		+	[[Category: Tetr family]]
		+	[[Category: Transcription-transcription inhibitor complex]]
		+	[[Category: Transcriptional repressor]]

OCA at 11:00, 14 December 2011

OCA — Wed, 14 Dec 2011 11:00:45 GMT

←Older revision		Revision as of 11:00, 14 December 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3q0w is ON HOLD until Dec 14 2012	+	The entry 3q0w is ON HOLD until Dec 21 2012

	Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.		Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.

	Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066		Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066

OCA at 07:26, 7 December 2011

OCA — Wed, 07 Dec 2011 07:26:35 GMT

←Older revision		Revision as of 07:26, 7 December 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3q0w is ON HOLD until ~~Paper Publication~~	+	The entry 3q0w is ON HOLD until Dec 14 2012

	Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.		Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.

	Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066		Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066

OCA at 08:34, 6 April 2011

OCA — Wed, 06 Apr 2011 08:34:11 GMT

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

-	The entry 3q0w is ON HOLD	+	The entry 3q0w is ON HOLD until Paper Publication

	Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.		Authors: Flipo, M., Desrose, M., Dirie, B., Carette, X., Leroux, F., Lens, Z., Rucktooa, P., Piveteau, C., Demirkaya, F., Locht, C., Villeret, V., Christophe, T., Jeon, H.K., Brodin, P., Deprez, B., Baulard, A., Willand, N.

	Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066		Description: ETHR From mycobacterium tuberculosis in complex with compound BDM33066

OCA: Protected "3q0w" [edit=sysop:move=sysop]

OCA — Wed, 02 Mar 2011 06:36:53 GMT

Protected "3q0w" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:36, 2 March 2011