4wku - Revision history

OCA at 00:53, 28 December 2023

OCA — Thu, 28 Dec 2023 00:53:55 GMT

←Older revision		Revision as of 00:53, 28 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wku]] is a 2 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=4WKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WKU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wku]] is a 2 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=4WKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WKU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [https://pdbe.org/4wku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [https://www.ebi.ac.uk/pdbsum/4wku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku 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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [https://pdbe.org/4wku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [https://www.ebi.ac.uk/pdbsum/4wku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:13, 7 April 2023

OCA — Fri, 07 Apr 2023 07:13:19 GMT

←Older revision		Revision as of 07:13, 7 April 2023
Line 3:		Line 3:
	<StructureSection load='4wku' size='340' side='right'caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='4wku' size='340' side='right'caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4wku]] is a 2 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=4WKU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4WKU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4wku]] is a 2 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=4WKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WKU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [https://pdbe.org/4wku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [https://www.ebi.ac.uk/pdbsum/4wku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">pvdQ, qsc112, PA2385 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [~~http~~://pdbe.org/4wku PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4wku PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PVDQ_PSEAE PVDQ_PSEAE]] Catalyzes the deacylation of acyl-homoserine lactone (AHL or acyl-HSL), releasing homoserine lactone (HSL) and the corresponding fatty acid. Possesses a specificity for the degradation of long-chain acyl-HSLs (side chains of 11 to 14 carbons in length). Degrades 3-oxo-C12-HSL, one of the two main AHL signal molecules of P.aeruginosa, and thereby functions as a quorum quencher, inhibiting the las quorum-sensing system. Therefore, may enable P.aeruginosa to modulate its own quorum-sensing-dependent pathogenic potential. Also appears to be required for pyoverdin biosynthesis.<ref>PMID:16495538</ref> <ref>PMID:14532048</ref> <ref>PMID:12686626</ref>	+	[https://www.uniprot.org/uniprot/PVDQ_PSEAE PVDQ_PSEAE] Catalyzes the deacylation of acyl-homoserine lactone (AHL or acyl-HSL), releasing homoserine lactone (HSL) and the corresponding fatty acid. Possesses a specificity for the degradation of long-chain acyl-HSLs (side chains of 11 to 14 carbons in length). Degrades 3-oxo-C12-HSL, one of the two main AHL signal molecules of P.aeruginosa, and thereby functions as a quorum quencher, inhibiting the las quorum-sensing system. Therefore, may enable P.aeruginosa to modulate its own quorum-sensing-dependent pathogenic potential. Also appears to be required for pyoverdin biosynthesis.<ref>PMID:16495538</ref> <ref>PMID:14532048</ref> <ref>PMID:12686626</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Acyl-homoserine-lactone acylase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pseae~~]]	+	[[Category: Pseudomonas aeruginosa PAO1]]
-	[[Category: Clevenger~~, K D~~]]	+	[[Category: Clevenger KD]]
-	[[Category: Fast, W]]	+	[[Category: Fast W]]
-	[[Category: Liu, D]]	+	[[Category: Liu D]]
-	[[Category: Wu, R]]	+	[[Category: Wu R]]
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: N-alkylboronic acid inhibitors of pvdq~~]]	+

OCA at 08:03, 23 May 2019

OCA — Thu, 23 May 2019 08:03:11 GMT

←Older revision		Revision as of 08:03, 23 May 2019
Line 1:		Line 1:

	==n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ==		==n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ==
-	<StructureSection load='4wku' size='340' side='right' caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='4wku' size='340' side='right'caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4wku]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WKU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4wku]] is a 2 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=4WKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WKU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">pvdQ, qsc112, PA2385 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://pdbe.org/4wku PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://pdbe.org/4wku PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</span></td></tr>
Line 25:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Acyl-homoserine-lactone acylase]]		[[Category: Acyl-homoserine-lactone acylase]]
		+	[[Category: Large Structures]]
		+	[[Category: Pseae]]
	[[Category: Clevenger, K D]]		[[Category: Clevenger, K D]]
	[[Category: Fast, W]]		[[Category: Fast, W]]
	[[Category: Liu, D]]		[[Category: Liu, D]]
	[[Category: Wu, R]]		[[Category: Wu, R]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: N-alkylboronic acid inhibitors of pvdq]]		[[Category: N-alkylboronic acid inhibitors of pvdq]]

OCA at 02:45, 5 August 2016

OCA — Fri, 05 Aug 2016 02:45:36 GMT

←Older revision		Revision as of 02:45, 5 August 2016
Line 1:		Line 1:
		+
	==n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ==		==n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ==
	<StructureSection load='4wku' size='340' side='right' caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='4wku' size='340' side='right' caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku 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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://pdbe.org/4wku PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wku ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4wku" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:09, 24 December 2014

OCA — Wed, 24 Dec 2014 22:09:19 GMT

←Older revision		Revision as of 22:09, 24 December 2014
Line 8:		Line 8:
	<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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku 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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PVDQ_PSEAE PVDQ_PSEAE]] Catalyzes the deacylation of acyl-homoserine lactone (AHL or acyl-HSL), releasing homoserine lactone (HSL) and the corresponding fatty acid. Possesses a specificity for the degradation of long-chain acyl-HSLs (side chains of 11 to 14 carbons in length). Degrades 3-oxo-C12-HSL, one of the two main AHL signal molecules of P.aeruginosa, and thereby functions as a quorum quencher, inhibiting the las quorum-sensing system. Therefore, may enable P.aeruginosa to modulate its own quorum-sensing-dependent pathogenic potential. Also appears to be required for pyoverdin biosynthesis.<ref>PMID:16495538</ref> <ref>PMID:14532048</ref> <ref>PMID:12686626</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:04, 12 November 2014

OCA — Wed, 12 Nov 2014 07:04:49 GMT

←Older revision		Revision as of 07:04, 12 November 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ==
		+	<StructureSection load='4wku' size='340' side='right' caption='[[4wku]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4wku]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WKU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3QJ:HEXYL(TRIHYDROXY)BORATE(1-)'>3QJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4wks\|4wks]], [[4wkt\|4wkt]], [[4wkv\|4wkv]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-homoserine-lactone_acylase Acyl-homoserine-lactone acylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.97 3.5.1.97] </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=4wku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wku RCSB], [http://www.ebi.ac.uk/pdbsum/4wku PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The enzyme PvdQ (E.C. 3.5.1.97) from Pseudomonas aeruginosa is an N-terminal nucleophile hydrolase that catalyzes the removal of an N-myristyl substituent from a biosynthetic precursor of the iron-chelating siderophore pyoverdine. Inhibitors of pyoverdine biosynthesis are potential antibiotics since iron is essential for growth and scarce in most infections. PvdQ also catalyzes hydrolytic amide bond cleavage of selected N-acyl-l-homoserine lactone quorum-sensing signals used by some Gram-negative pathogens to coordinate the transcription of virulence factors. The resulting quorum-quenching activity of PvdQ has potential applications in antivirulence therapies. To inform both inhibitor design and enzyme engineering efforts, a series of n-alkylboronic acid inhibitors of PvdQ was characterized to reveal determinants of ligand selectivity. A simple homologation series results in compounds with Ki values that span from 4.7 mM to 190 pM, with a dependence of DeltaGbind values on chain length of -1.0 kcal/mol/CH2. X-ray crystal structures are determined for the PvdQ complexes with 1-ethyl-, 1-butyl-, 1-hexyl-, and 1-octylboronic acids at 1.6, 1.8, 2.0, and 2.1 A resolution, respectively. The 1-hexyl- and 1-octylboronic acids form tetrahedral adducts with the active-site N-terminal Ser217 in the beta-subunit of PvdQ, and the n-alkyl substituents are bound in the acyl-group binding site. The 1-ethyl- and 1-butylboronic acids also form adducts with Ser217 but instead form trigonal planar adducts and extend their n-alkyl substituents into an alternative binding site. These results are interpreted to propose a ligand discrimination model for PvdQ that informs the development of PvdQ-related tools and therapeutics.

-	~~The entry 4wku is ON HOLD~~	+	n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.,Clevenger KD, Wu R, Liu D, Fast W Biochemistry. 2014 Oct 28;53(42):6679-86. doi: 10.1021/bi501086s. Epub 2014 Oct, 17. PMID:25290020<ref>PMID:25290020</ref>

-	~~Authors: Wu~~, R., Clevenger, K.D., Fast, W., Liu, D.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: n-~~Alkylboronic Acid Inhibitors Reveal Determinants~~ of ~~Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Acyl-homoserine-lactone acylase]]
		+	[[Category: Clevenger, K D]]
		+	[[Category: Fast, W]]
		+	[[Category: Liu, D]]
		+	[[Category: Wu, R]]
		+	[[Category: N-alkylboronic acid inhibitors of pvdq]]

OCA at 10:30, 29 October 2014

OCA — Wed, 29 Oct 2014 10:30:22 GMT

←Older revision		Revision as of 10:30, 29 October 2014
Line 3:		Line 3:
	The entry 4wku is ON HOLD		The entry 4wku is ON HOLD

-	Authors: Wu, R, Clevenger, K, Fast, W, Liu, D	+	Authors: Wu, R., Clevenger, K.D., Fast, W., Liu, D.

	Description: n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ		Description: n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ

OCA: Protected "4wku" [edit=sysop:move=sysop]

OCA — Mon, 20 Oct 2014 09:55:49 GMT

Protected "4wku" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:55, 20 October 2014

OCA: New page: '''Unreleased structure''' The entry 4wku is ON HOLD Authors: Wu, R, Clevenger, K, Fast, W, Liu, D Description: n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity...

OCA — Mon, 20 Oct 2014 09:55:48 GMT

New page: '''Unreleased structure''' The entry 4wku is ON HOLD Authors: Wu, R, Clevenger, K, Fast, W, Liu, D Description: n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity...

New page

'''Unreleased structure'''

The entry 4wku is ON HOLD

Authors: Wu, R, Clevenger, K, Fast, W, Liu, D

Description: n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ