OCA at 15:11, 18 October 2023

OCA — Wed, 18 Oct 2023 15:11:37 GMT

←Older revision		Revision as of 15:11, 18 October 2023
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	==Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution==		==Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution==
-	<StructureSection load='7jua' size='340' side='right'caption='[[7jua]]' scene=''>	+	<StructureSection load='7jua' size='340' side='right'caption='[[7jua]], [[Resolution\|resolution]] 2.35Å' 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=7JUA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7JUA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7jua]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Yersinia_pestis Yersinia pestis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7JUA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7JUA FirstGlance]. <br>
-	</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=7jua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7jua OCA], [https://pdbe.org/7jua PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7jua RCSB], [https://www.ebi.ac.uk/pdbsum/7jua PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7jua 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]] 2.35Å</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=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</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=7jua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7jua OCA], [https://pdbe.org/7jua PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7jua RCSB], [https://www.ebi.ac.uk/pdbsum/7jua PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7jua ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A3N4B635_YERPE A0A3N4B635_YERPE]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Nonribosomal peptide synthetase (NRPS) heterocyclization (Cy) domains generate biologically important ox-/thiazoline groups found in natural products, including pharmaceuticals and virulence factors such as some siderophores. Cy domains catalyze consecutive condensation and cyclodehydration reactions, although the mechanism is unknown. To better understand Cy domain catalysis, here we report the crystal structure of the second Cy domain (Cy2) of yersiniabactin synthetase from the causative agent of the plague, Yersinia pestis. Our high-resolution structure of Cy2 adopts a conformation that enables exploration of interactions with the extended, thiazoline-containing cyclodehydration intermediate and the acceptor carrier protein to which it is tethered. We also report complementary electrostatic interfaces between Cy2 and its donor carrier protein that mediate donor binding. Lastly, we explored domain flexibility through normal mode analysis and identify small-molecule fragment binding sites that may inform future antibiotic design targeting Cy function. Our results suggest how carrier protein binding may influence global Cy conformations, with consequences for active site remodeling to facilitate the separate condensation and cyclodehydration steps as well as potential inhibitor development.
		+
		+	High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.,Gnann AD, Xia Y, Soule J, Barthelemy C, Mawani JS, Musoke SN, Castellano BM, Brignole EJ, Frueh DP, Dowling DP J Biol Chem. 2022 Sep 2:102454. doi: 10.1016/j.jbc.2022.102454. PMID:36063993<ref>PMID:36063993</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7jua" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Yersinia pestis]]
	[[Category: Dowling DP]]		[[Category: Dowling DP]]
	[[Category: Soule J]]		[[Category: Soule J]]
	[[Category: Xia Y]]		[[Category: Xia Y]]

OCA at 06:49, 22 September 2021

OCA — Wed, 22 Sep 2021 06:49:53 GMT

←Older revision		Revision as of 06:49, 22 September 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7jua is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution==
-		+	<StructureSection load='7jua' size='340' side='right'caption='[[7jua]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7JUA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7JUA FirstGlance]. <br>
-	~~Description~~:	+	</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=7jua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7jua OCA], [https://pdbe.org/7jua PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7jua RCSB], [https://www.ebi.ac.uk/pdbsum/7jua PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7jua ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Dowling DP]]
		+	[[Category: Soule J]]
		+	[[Category: Xia Y]]

OCA at 09:05, 23 September 2020

OCA — Wed, 23 Sep 2020 09:05:33 GMT

←Older revision		Revision as of 09:05, 23 September 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7jua is ON HOLD	+	The entry 7jua is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7jua" [edit=sysop:move=sysop]

OCA — Wed, 26 Aug 2020 09:42:19 GMT

Protected "7jua" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:42, 26 August 2020

OCA: New page: '''Unreleased structure''' The entry 7jua is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 26 Aug 2020 09:42:17 GMT

New page: '''Unreleased structure''' The entry 7jua is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7jua is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7jua - Revision history

OCA at 15:11, 18 October 2023

OCA at 06:49, 22 September 2021

OCA at 09:05, 23 September 2020

OCA: Protected "7jua" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7jua is ON HOLD Authors: Description: Category: Unreleased Structures