OCA at 07:41, 14 June 2018

OCA — Thu, 14 Jun 2018 07:41:56 GMT

←Older revision		Revision as of 07:41, 14 June 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 6fnr is ~~ON HOLD~~	+	==Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine==
		+	<StructureSection load='6fnr' size='340' side='right' caption='[[6fnr]], [[Resolution\|resolution]] 1.83Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6fnr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FNR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6FNR FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DYT:(2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic+acid'>DYT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/L-histidine_N(alpha)-methyltransferase L-histidine N(alpha)-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.44 2.1.1.44] </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=6fnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fnr OCA], [http://pdbe.org/6fnr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6fnr RCSB], [http://www.ebi.ac.uk/pdbsum/6fnr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6fnr ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/A0A0D6J225_MYCSM A0A0D6J225_MYCSM]] Catalyzes the SAM-dependent triple methylation of the alpha-amino group of histidine to form hercynine, a step in the biosynthesis pathway of ergothioneine.[HAMAP-Rule:MF_02037]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Ergothioneine is an emerging factor in cellular redox homeostasis in bacteria, fungi, plants, and animals. Reports that ergothioneine biosynthesis may be important for the pathogenicity of bacteria and fungi raise the question as to how this pathway is regulated and whether the corresponding enzymes may be therapeutic targets. The first step in ergothioneine biosynthesis is catalyzed by the methyltransferase EgtD that converts histidine into N-alpha-trimethylhistidine. This report examines the kinetic, thermodynamic and structural basis for substrate, product, and inhibitor binding by EgtD from Mycobacterium smegmatis. This study reveals an unprecedented substrate binding mechanism and a fine-tuned affinity landscape as determinants for product specificity and product inhibition. Both properties are evolved features that optimize the function of EgtD in the context of cellular ergothioneine production. On the basis of these findings, we developed a series of simple histidine derivatives that inhibit methyltransferase activity at low micromolar concentrations. Crystal structures of inhibited complexes validate this structure- and mechanism-based design strategy.

-	~~Authors: Vit~~, A., ~~Blankenfeldt~~, W., Seebeck~~, F~~.P.	+	Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.,Misson L, Burn R, Vit A, Hildesheim J, Beliaeva MA, Blankenfeldt W, Seebeck FP ACS Chem Biol. 2018 May 18;13(5):1333-1342. doi: 10.1021/acschembio.8b00127. Epub, 2018 Apr 16. PMID:29658702<ref>PMID:29658702</ref>

-	~~Description: Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Seebeck, F.P]]~~	+	<div class="pdbe-citations 6fnr" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Blankenfeldt, W]]		[[Category: Blankenfeldt, W]]
		+	[[Category: Seebeck, F P]]
	[[Category: Vit, A]]		[[Category: Vit, A]]
		+	[[Category: Ergothioneine]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Methyltransferase]]
		+	[[Category: Transferase]]

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

OCA — Thu, 15 Feb 2018 05:28:27 GMT

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

←Older revision

Revision as of 05:28, 15 February 2018

OCA: New page: '''Unreleased structure''' The entry 6fnr is ON HOLD Authors: Vit, A., Blankenfeldt, W., Seebeck, F.P. Description: Ergothioneine-biosynthetic methyltransferase EgtD in complex with ch...

OCA — Thu, 15 Feb 2018 05:28:26 GMT

New page: '''Unreleased structure''' The entry 6fnr is ON HOLD Authors: Vit, A., Blankenfeldt, W., Seebeck, F.P. Description: Ergothioneine-biosynthetic methyltransferase EgtD in complex with ch...

New page

'''Unreleased structure'''

The entry 6fnr is ON HOLD

Authors: Vit, A., Blankenfeldt, W., Seebeck, F.P.

Description: Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine
[[Category: Unreleased Structures]]
[[Category: Seebeck, F.P]]
[[Category: Blankenfeldt, W]]
[[Category: Vit, A]]

6fnr - Revision history

OCA at 07:41, 14 June 2018

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

OCA: New page: '''Unreleased structure''' The entry 6fnr is ON HOLD Authors: Vit, A., Blankenfeldt, W., Seebeck, F.P. Description: Ergothioneine-biosynthetic methyltransferase EgtD in complex with ch...