5his - Revision history

OCA at 07:38, 9 August 2023

2023-08-09T07:38:15Z

←Older revision		Revision as of 07:38, 9 August 2023
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	<StructureSection load='5his' size='340' side='right'caption='[[5his]], [[Resolution\|resolution]] 1.77Å' scene=''>		<StructureSection load='5his' size='340' side='right'caption='[[5his]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Pseae Pseae~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5HIS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HIS FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=60P:3~~-~~METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>~~, ~~<scene name='pdbligand=FE:FE+(III)+ION'>FE</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]] 1.77Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~PA1000 ([http~~:/~~/www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=208964 PSEAE]~~)</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [~~http~~://pdbe.org/5his PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5his PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5his 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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [https://pdbe.org/5his PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [https://www.ebi.ac.uk/pdbsum/5his PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5his ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/PQSE_PSEAE PQSE_PSEAE] Required for the biosynthesis of the quorum-sensing signaling molecules 2-heptyl-4(1H)-quinolone (HHQ) and 2-heptyl-3-hydroxy-4(1H)-quinolone (Pseudomonas quinolone signal or PQS), which are important for biofilm formation and virulence. Catalyzes the hydrolysis of the intermediate 2-aminobenzoylacetyl-CoA (2-ABA-CoA) to form 2-aminobenzoylacetate (2-ABA), the precursor of HHQ. In vitro, can also hydrolyze other substrates such as S-ethyl-acetothioacetate and acetoacetyl-CoA, but is inactive against anthraniloyl-CoA, malonyl-CoA and octanoyl-CoA (PubMed:25960261, PubMed:27082157). Beyond its thioesterase function, is involved in the regulation of diverse genes coding for key virulence determinants and biofilm development (PubMed:27851827).<ref>PMID:25960261</ref> <ref>PMID:27082157</ref> <ref>PMID:27851827</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pseae~~]]	+	[[Category: Pseudomonas aeruginosa PAO1]]
-	[[Category: Blankenfeldt, W]]	+	[[Category: Blankenfeldt W]]
-	[[Category: Witzgall, F]]	+	[[Category: Witzgall F]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Metal binding protein]]~~	+
-	~~[[Category: Pq]]~~	+
-	~~[[Category: Pqse]]~~	+
-	~~[[Category: Pseudomona]]~~	+
-	~~[[Category: Quorum sensing~~]]	+

OCA at 08:17, 27 May 2020

2020-05-27T08:17:26Z

←Older revision		Revision as of 08:17, 27 May 2020
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	==Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid==		==Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid==
-	<StructureSection load='5his' size='340' side='right' caption='[[5his]], [[Resolution\|resolution]] 1.77Å' scene=''>	+	<StructureSection load='5his' size='340' side='right'caption='[[5his]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5HIS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5HIS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [http://pdbe.org/5his PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [http://www.ebi.ac.uk/pdbsum/5his PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5his ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PA1000 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [http://pdbe.org/5his PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [http://www.ebi.ac.uk/pdbsum/5his PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5his ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Pseae]]
	[[Category: Blankenfeldt, W]]		[[Category: Blankenfeldt, W]]
	[[Category: Witzgall, F]]		[[Category: Witzgall, F]]

OCA at 17:53, 12 July 2016

2016-07-12T17:53:40Z

←Older revision		Revision as of 17:53, 12 July 2016
Line 5:		Line 5:
	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HIS FirstGlance]. <br>		<table><tr><td colspan='2'>[[5his]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HIS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [http://pdbe.org/5his PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [http://www.ebi.ac.uk/pdbsum/5his PDBsum]</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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [http://pdbe.org/5his PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [http://www.ebi.ac.uk/pdbsum/5his PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5his ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 12:06, 13 May 2016

2016-05-13T12:06:18Z

←Older revision		Revision as of 12:06, 13 May 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5his is ~~ON HOLD~~	+	==Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid==
		+	<StructureSection load='5his' size='340' side='right' caption='[[5his]], [[Resolution\|resolution]] 1.77Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5his]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HIS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HIS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=60P:3-METHYLTHIOPHENE-2-CARBOXYLIC+ACID'>60P</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene></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=5his FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5his OCA], [http://pdbe.org/5his PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5his RCSB], [http://www.ebi.ac.uk/pdbsum/5his PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Pseudomonas aeruginosa uses quorum sensing (QS) as a cell-to-cell communication system to orchestrate the expression of virulence determinants. The biosynthesis of the important Pseudomonas quinolone signal (PQS) requires the pqsABCDE operon. Here, PqsE acts as a pathway-specific thioesterase, but it also contributes to the regulation of bacterial virulence via an unknown mechanism. In this manuscript, we report the discovery of PqsE inhibitors as tool compounds to gain further insights into its different functions. Differential scanning fluorimetry (DSF) was used to screen a fragment library, and isothermal titration calorimetry (ITC) was employed as a secondary filter. As proven by X-ray crystallography, hit molecules bound to the active center inhibiting PqsE's thioesterase activity in cell-based and in vitro assays. Notably, the ligands did not affect the levels of the PqsE-regulated virulence factor pyocyanin. These findings indicate that the regulatory function of PqsE is not linked to its thioesterase activity and must be encoded outside of the active center. This study highlights the potential of fragment-based screening for the discovery of tool compounds. This approach provided novel insight into complex biological systems, which could not be obtained by knockout studies.

-	~~Authors: Witzgall~~, F., ~~Blankenfeldt~~, W.	+	Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.,Zender M, Witzgall F, Drees SL, Weidel E, Maurer CK, Fetzner S, Blankenfeldt W, Empting M, Hartmann RW ACS Chem Biol. 2016 Apr 28. PMID:27082157<ref>PMID:27082157</ref>

-	~~Description: Crystal Structure~~ of ~~PQS Response Protein PqsE in Complex with 3~~-~~methylthiophene~~-~~2-carboxylic acid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5his" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Blankenfeldt, W]]		[[Category: Blankenfeldt, W]]
	[[Category: Witzgall, F]]		[[Category: Witzgall, F]]
		+	[[Category: Inhibitor]]
		+	[[Category: Metal binding protein]]
		+	[[Category: Pq]]
		+	[[Category: Pqse]]
		+	[[Category: Pseudomona]]
		+	[[Category: Quorum sensing]]

OCA: Protected "5his" [edit=sysop:move=sysop]

2016-01-20T15:31:14Z

Protected "5his" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:31, 20 January 2016

OCA: New page: '''Unreleased structure''' The entry 5his is ON HOLD Authors: Witzgall, F., Blankenfeldt, W. Description: Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophe...

2016-01-20T15:31:12Z

New page: '''Unreleased structure''' The entry 5his is ON HOLD Authors: Witzgall, F., Blankenfeldt, W. Description: Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophe...

New page

'''Unreleased structure'''

The entry 5his is ON HOLD

Authors: Witzgall, F., Blankenfeldt, W.

Description: Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
[[Category: Unreleased Structures]]
[[Category: Blankenfeldt, W]]
[[Category: Witzgall, F]]