6y8j - Revision history

OCA at 13:21, 24 January 2024

OCA — Wed, 24 Jan 2024 13:21:46 GMT

←Older revision		Revision as of 13:21, 24 January 2024
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	<StructureSection load='6y8j' size='340' side='right'caption='[[6y8j]], [[Resolution\|resolution]] 2.05Å' scene=''>		<StructureSection load='6y8j' size='340' side='right'caption='[[6y8j]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6y8j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Aciba Aciba~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y8J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Y8J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6y8j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y8J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Y8J FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</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]] 2.05Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">antA_2, antA_1, antA_3, A7M79_02670, A7M90_13970, ABUW_3074, B4R90_07590, B9X95_06095, BGC29_09330, C2U32_18540, C3415_14505, CBI29_00874, CHQ89_11265, CPI82_11190, CSB70_0522, DLI75_01970, DOL94_04925, DVA79_16365, E2533_13315, E2536_16135, E5294_15630, E5979_13670, EA685_07170, EA686_01565, EA706_03020, EA722_03860, EA746_003300, EWO92_12480, EWO96_16565, EWP49_15025, FD887_09300, FD913_14110, FJU36_15000, FJU42_16200, FJU76_14830, FJU79_08840, FJU87_10695, FJV14_20515, LV38_02893, NCTC13305_01609, SAMEA104305283_02985, SAMEA104305351_01970 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=~~470 ACIBA])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:</~~b></td><td class="sblockDat"><span class='plainlinks~~'>~~[https://en.wikipedia.org/wiki/Carnitine_monooxygenase Carnitine monooxygenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.239 1.14.13.239]~~ </~~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=6y8j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y8j OCA], [https://pdbe.org/6y8j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6y8j RCSB], [https://www.ebi.ac.uk/pdbsum/6y8j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6y8j 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=6y8j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y8j OCA], [https://pdbe.org/6y8j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6y8j RCSB], [https://www.ebi.ac.uk/pdbsum/6y8j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6y8j ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/A0A059ZPP5_ACIBA A0A059ZPP5_ACIBA]] Converts carnitine to trimethylamine and malic semialdehyde.[HAMAP-Rule:MF_02097]	+	[https://www.uniprot.org/uniprot/A0A059ZPP5_ACIBA A0A059ZPP5_ACIBA] Converts carnitine to trimethylamine and malic semialdehyde.[HAMAP-Rule:MF_02097]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aciba]]~~	+	[[Category: Acinetobacter baumannii]]
-	~~[[Category: Carnitine monooxygenase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bugg~~, T D~~]]	+	[[Category: Bugg TD]]
-	[[Category: Cameron, A]]	+	[[Category: Cameron A]]
-	[[Category: Chen, Y]]	+	[[Category: Chen Y]]
-	[[Category: Quareshy, M]]	+	[[Category: Quareshy M]]
-	[[Category: Shanmugam, M]]	+	[[Category: Shanmugam M]]
-	~~[[Category: Apo]]~~	+
-	~~[[Category: Iron-sulphur cluster]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Rieske~~]]	+

OCA at 09:08, 21 July 2021

OCA — Wed, 21 Jul 2021 09:08:24 GMT

←Older revision		Revision as of 09:08, 21 July 2021
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	==Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA==		==Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA==
-	<StructureSection load='6y8j' size='340' side='right'caption='[[6y8j]]' scene=''>	+	<StructureSection load='6y8j' size='340' side='right'caption='[[6y8j]], [[Resolution\|resolution]] 2.05Å' 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=6Y8J OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Y8J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6y8j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aciba Aciba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y8J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Y8J 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=6y8j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y8j OCA], [~~http~~://pdbe.org/6y8j PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6y8j RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6y8j PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6y8j ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">antA_2, antA_1, antA_3, A7M79_02670, A7M90_13970, ABUW_3074, B4R90_07590, B9X95_06095, BGC29_09330, C2U32_18540, C3415_14505, CBI29_00874, CHQ89_11265, CPI82_11190, CSB70_0522, DLI75_01970, DOL94_04925, DVA79_16365, E2533_13315, E2536_16135, E5294_15630, E5979_13670, EA685_07170, EA686_01565, EA706_03020, EA722_03860, EA746_003300, EWO92_12480, EWO96_16565, EWP49_15025, FD887_09300, FD913_14110, FJU36_15000, FJU42_16200, FJU76_14830, FJU79_08840, FJU87_10695, FJV14_20515, LV38_02893, NCTC13305_01609, SAMEA104305283_02985, SAMEA104305351_01970 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=470 ACIBA])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Carnitine_monooxygenase Carnitine monooxygenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.239 1.14.13.239] </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=6y8j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y8j OCA], [https://pdbe.org/6y8j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6y8j RCSB], [https://www.ebi.ac.uk/pdbsum/6y8j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6y8j ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/A0A059ZPP5_ACIBA A0A059ZPP5_ACIBA]] Converts carnitine to trimethylamine and malic semialdehyde.[HAMAP-Rule:MF_02097]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Microbial metabolism of carnitine to trimethylamine (TMA) in the gut can accelerate atherosclerosis and heart disease and these TMA-producing enzymes are therefore important drug targets. Here, we report the first structures of the carnitine oxygenase CntA, an enzyme of the Rieske oxygenase family. CntA exists in a head-to-tail a3 trimeric structure. The two functional domains (the Rieske and the catalytic mononuclear iron domains) are located > 40 A apart in the same monomer but adjacent in two neighbouring monomers. Structural determination of CntA and subsequent electron paramagnetic resonance measurements uncover the molecular basis of the so-called bridging glutamate (E205) residue in inter-subunit electron transfer. The structures of the substrate-bound CntA help to define the substrate pocket. Importantly, a tyrosine residue (Y203) is essential for ligand recognition through a pi-cation interaction with the quaternary ammonium group. This interaction between an aromatic residue and quaternary amine substrates allows us to delineate a subgroup of Rieske oxygenases (group V) from the prototype ring-hydroxylating Rieske oxygenases involved in bioremediation of aromatic pollutants in the environment. Furthermore, we report the discovery of the first known CntA inhibitors and solve the structure of CntA in complex with the inhibitor, demonstrating the pivotal role of Y203 through a pi-pi stacking interaction with the inhibitor. Our study provides the structural and molecular basis for future discovery of drugs targeting this TMA-producing enzyme in human gut.
		+
		+	Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition and inter-subunit electron transfer.,Quareshy M, Shanmugam M, Townsend E, Jameson E, Bugg TDH, Cameron AD, Chen Y J Biol Chem. 2020 Nov 6. pii: RA120.016019. doi: 10.1074/jbc.RA120.016019. PMID:33158989<ref>PMID:33158989</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6y8j" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aciba]]
		+	[[Category: Carnitine monooxygenase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bugg TD]]	+	[[Category: Bugg, T D]]
-	[[Category: Cameron A]]	+	[[Category: Cameron, A]]
-	[[Category: Chen Y]]	+	[[Category: Chen, Y]]
-	[[Category: Quareshy M]]	+	[[Category: Quareshy, M]]
-	[[Category: Shanmugam M]]	+	[[Category: Shanmugam, M]]
		+	[[Category: Apo]]
		+	[[Category: Iron-sulphur cluster]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Rieske]]

OCA at 09:38, 18 November 2020

OCA — Wed, 18 Nov 2020 09:38:07 GMT

←Older revision		Revision as of 09:38, 18 November 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6y8j is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA==
-		+	<StructureSection load='6y8j' size='340' side='right'caption='[[6y8j]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y8J OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Y8J FirstGlance]. <br>
-	~~Description~~:	+	</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=6y8j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y8j OCA], [http://pdbe.org/6y8j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y8j RCSB], [http://www.ebi.ac.uk/pdbsum/6y8j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y8j ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Bugg TD]]
		+	[[Category: Cameron A]]
		+	[[Category: Chen Y]]
		+	[[Category: Quareshy M]]
		+	[[Category: Shanmugam M]]

OCA at 08:37, 18 March 2020

OCA — Wed, 18 Mar 2020 08:37:44 GMT

←Older revision		Revision as of 08:37, 18 March 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6y8j is ON HOLD	+	The entry 6y8j is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6y8j" [edit=sysop:move=sysop]

OCA — Wed, 11 Mar 2020 06:17:16 GMT

Protected "6y8j" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:17, 11 March 2020

OCA: New page: '''Unreleased structure''' The entry 6y8j is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 11 Mar 2020 06:17:15 GMT

New page: '''Unreleased structure''' The entry 6y8j is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6y8j is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]