6vue - Revision history

OCA at 08:20, 11 October 2023

OCA — Wed, 11 Oct 2023 08:20:25 GMT

←Older revision		Revision as of 08:20, 11 October 2023
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	==wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol==		==wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol==
-	<StructureSection load='6vue' size='340' side='right'caption='[[6vue]]' scene=''>	+	<StructureSection load='6vue' size='340' side='right'caption='[[6vue]], [[Resolution\|resolution]] 2.28Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VUE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6VUE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vue]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Oleidesulfovibrio_alaskensis_G20 Oleidesulfovibrio alaskensis G20]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VUE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VUE FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6vue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vue OCA], [~~http~~://pdbe.org/6vue PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vue RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vue PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vue ProSAT]</span></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]] 2.28Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=RP7:(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol'>RP7</scene></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=6vue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vue OCA], [https://pdbe.org/6vue PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vue RCSB], [https://www.ebi.ac.uk/pdbsum/6vue PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vue ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CUTC_OLEA2 CUTC_OLEA2] Glycine radical enzyme that catalyzes the cleavage of a C-N bond in choline, producing trimethylamine (TMA) and acetaldehyde (PubMed:23151509, PubMed:24854437). Is involved in the anaerobic choline utilization pathway that allows D.alaskensis to grow on choline as a source of carbon and energy (PubMed:23151509). Is strictly specific for choline as substrate (PubMed:24854437).<ref>PMID:23151509</ref> <ref>PMID:24854437</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The anaerobic conversion of choline to trimethylamine (TMA) by the human gut microbiota has been linked to multiple human diseases. The potential impact of this microbial metabolic activity on host health has inspired multiple efforts to identify small molecule inhibitors. Here, we use information about the structure and mechanism of the bacterial enzyme choline TMA-lyase (CutC) to develop a cyclic choline analog that inhibits the conversion of choline to TMA in bacterial whole cells and in a complex gut microbial community. In vitro biochemical assays and a crystal structure suggest that this analog is a competitive, mechanism-based inhibitor. This work demonstrates the utility of structure-based design to access inhibitors of radical enzymes from the human gut microbiota.
		+
		+	Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.,Bollenbach M, Ortega M, Orman M, Drennan CL, Balskus EP ACS Med Chem Lett. 2020 Mar 25;11(10):1980-1985. doi:, 10.1021/acsmedchemlett.0c00005. eCollection 2020 Oct 8. PMID:33062182<ref>PMID:33062182</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6vue" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Oleidesulfovibrio alaskensis G20]]
	[[Category: Drennan CL]]		[[Category: Drennan CL]]
	[[Category: Ortega MA]]		[[Category: Ortega MA]]

OCA at 07:22, 4 November 2020

OCA — Wed, 04 Nov 2020 07:22:19 GMT

←Older revision		Revision as of 07:22, 4 November 2020
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-	'''Unreleased structure'''

-	~~The entry 6vue is ON HOLD until Paper Publication~~	+	==wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol==
-		+	<StructureSection load='6vue' size='340' side='right'caption='[[6vue]]' scene=''>
-	~~Authors: Ortega, M.A., Drennan, C.L.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VUE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VUE FirstGlance]. <br>
-	~~Description:~~ wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vue OCA], [http://pdbe.org/6vue PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vue RCSB], [http://www.ebi.ac.uk/pdbsum/6vue PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vue ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Drennan~~, C.L~~]]	+	__TOC__
-	[[Category: Ortega~~, M.A~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Drennan CL]]
		+	[[Category: Ortega MA]]

OCA at 06:04, 11 March 2020

OCA — Wed, 11 Mar 2020 06:04:05 GMT

←Older revision		Revision as of 06:04, 11 March 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6vue is ON HOLD	+	The entry 6vue is ON HOLD until Paper Publication

	Authors: Ortega, M.A., Drennan, C.L.		Authors: Ortega, M.A., Drennan, C.L.

OCA: Protected "6vue" [edit=sysop:move=sysop]

OCA — Wed, 26 Feb 2020 08:10:07 GMT

Protected "6vue" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:10, 26 February 2020

OCA: New page: '''Unreleased structure''' The entry 6vue is ON HOLD Authors: Ortega, M.A., Drennan, C.L. Description: wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-...

OCA — Wed, 26 Feb 2020 08:10:05 GMT

New page: '''Unreleased structure''' The entry 6vue is ON HOLD Authors: Ortega, M.A., Drennan, C.L. Description: wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-...

New page

'''Unreleased structure'''

The entry 6vue is ON HOLD

Authors: Ortega, M.A., Drennan, C.L.

Description: wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol
[[Category: Unreleased Structures]]
[[Category: Drennan, C.L]]
[[Category: Ortega, M.A]]