OCA at 18:08, 29 May 2024

OCA — Wed, 29 May 2024 18:08:05 GMT

←Older revision		Revision as of 18:08, 29 May 2024
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8vkt is ~~ON HOLD until Paper~~ Publication	+	==Crystallographic structure of dimetalated DapE from Enterococcus faecium==
		+	<StructureSection load='8vkt' size='340' side='right'caption='[[8vkt]], [[Resolution\|resolution]] 1.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8vkt]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecium Enterococcus faecium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8VKT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8VKT FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.398Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8vkt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8vkt OCA], [https://pdbe.org/8vkt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8vkt RCSB], [https://www.ebi.ac.uk/pdbsum/8vkt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8vkt ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A1S8KJG1_ENTFC A0A1S8KJG1_ENTFC]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	DapE is a Zn(2+)-metallohydrolase recognized as a drug target for bacterial control. It is a homodimer that requires the exchange of interface strands by an induced fit essential for catalysis. Identifying novel anti-DapE agents requires greater structural details. Most of the characterized DapEs are from the Gram-negative group. Here, two high-resolution DapE crystal structures from Enterococcus faecium are presented for the first time with novel aspects. A loosened enzyme intermediate between the open and closed conformations is observed. Substrates may bind to loose state, subsequently it closes, where hydrolysis occurs, and finally, the change to the open state leads to the release of the products. Mutation of His352 suggests a role, along with His194, in the oxyanion stabilization in the mono-metalated Zn(2+) isoform, while in the di-metalated isoform, the metal center 2 complements it function. An aromatic-pi box potentially involved in the interaction of DapE with other proteins, and a peptide flip could determine the specificity in the Gram-positive ArgE/DapE group. Finally, details of two extra-catalytic cavities whose geometry changes depending on the conformational state of the enzyme are presented. These cavities could be a target for developing non-competitive agents that trap the enzyme in an inactive state.

-	~~Authors~~:	+	The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity.,Terrazas-Lopez M, Gonzalez-Segura L, Diaz-Vilchis A, Aguirre-Mendez KA, Lobo-Galo N, Martinez-Martinez A, Diaz-Sanchez AG Int J Biol Macromol. 2024 May 11;270(Pt 2):132281. doi: , 10.1016/j.ijbiomac.2024.132281. PMID:38740150<ref>PMID:38740150</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 8vkt" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Enterococcus faecium]]
		+	[[Category: Large Structures]]
		+	[[Category: Diaz-Sanchez AG]]
		+	[[Category: Diaz-Vilchis A]]
		+	[[Category: Gonzalez-Segura L]]
		+	[[Category: Terrazas-Lopez M]]

OCA at 10:40, 1 February 2024

OCA — Thu, 01 Feb 2024 10:40:18 GMT

←Older revision		Revision as of 10:40, 1 February 2024
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8vkt is ON HOLD	+	The entry 8vkt is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "8vkt" [edit=sysop:move=sysop]

OCA — Wed, 17 Jan 2024 09:05:35 GMT

Protected "8vkt" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:05, 17 January 2024

OCA: New page: '''Unreleased structure''' The entry 8vkt is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 17 Jan 2024 09:05:34 GMT

New page: '''Unreleased structure''' The entry 8vkt is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8vkt is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

8vkt - Revision history

OCA at 18:08, 29 May 2024

OCA at 10:40, 1 February 2024

OCA: Protected "8vkt" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 8vkt is ON HOLD Authors: Description: Category: Unreleased Structures