6as8 - Revision history

OCA at 14:23, 4 October 2023

OCA — Wed, 04 Oct 2023 14:23:59 GMT

←Older revision		Revision as of 14:23, 4 October 2023
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	<StructureSection load='6as8' size='340' side='right'caption='[[6as8]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='6as8' size='340' side='right'caption='[[6as8]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6as8]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecout Ecout~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AS8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6AS8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6as8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_UTI89 Escherichia coli UTI89]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AS8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6AS8 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=BTG:2~~-{[~~2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl~~]~~oxy}[1,1-biphenyl~~]~~-3-carboxylic+acid'>BTG</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]] 2.101Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~fmlD, UTI89_C1716 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=364106 ECOUT])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BTG:ortho-biphenyl-2-carboxyl+N-acetyl-beta-galactosaminoside'>BTG</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=6as8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6as8 OCA], [~~http~~://pdbe.org/6as8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6as8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6as8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6as8 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=6as8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6as8 OCA], [https://pdbe.org/6as8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6as8 RCSB], [https://www.ebi.ac.uk/pdbsum/6as8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6as8 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q1RBS0_ECOUT Q1RBS0_ECOUT]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ecout~~]]	+	[[Category: Escherichia coli UTI89]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hultgren~~, S J~~]]	+	[[Category: Hultgren SJ]]
-	[[Category: Kalas, V]]	+	[[Category: Kalas V]]
-	~~[[Category: Bacterial adhesion]]~~	+
-	~~[[Category: Fimbrial adhesin]]~~	+
-	~~[[Category: Lectin]]~~	+
-	~~[[Category: Sugar binding protein~~]]	+

OCA at 12:45, 25 December 2019

OCA — Wed, 25 Dec 2019 12:45:03 GMT

←Older revision		Revision as of 12:45, 25 December 2019
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	==F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside==		==F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside==
-	<StructureSection load='6as8' size='340' side='right' caption='[[6as8]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='6as8' size='340' side='right'caption='[[6as8]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6as8]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AS8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AS8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6as8]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecout Ecout]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AS8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AS8 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BTG:2-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1-biphenyl]-3-carboxylic+acid'>BTG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BTG:2-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1-biphenyl]-3-carboxylic+acid'>BTG</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fmlD, UTI89_C1716 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=364106 ECOUT])</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=6as8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6as8 OCA], [http://pdbe.org/6as8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6as8 RCSB], [http://www.ebi.ac.uk/pdbsum/6as8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6as8 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=6as8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6as8 OCA], [http://pdbe.org/6as8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6as8 RCSB], [http://www.ebi.ac.uk/pdbsum/6as8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6as8 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Treatment of bacterial infections is becoming a serious clinical challenge due to the global dissemination of multidrug antibiotic resistance, necessitating the search for alternative treatments to disarm the virulence mechanisms underlying these infections. Uropathogenic Escherichia coli (UPEC) employs multiple chaperone-usher pathway pili tipped with adhesins with diverse receptor specificities to colonize various host tissues and habitats. For example, UPEC F9 pili specifically bind galactose or N-acetylgalactosamine epitopes on the kidney and inflamed bladder. Using X-ray structure-guided methods, virtual screening, and multiplex ELISA arrays, we rationally designed aryl galactosides and N-acetylgalactosaminosides that inhibit the F9 pilus adhesin FmlH. The lead compound, 29beta-NAc, is a biphenyl N-acetyl-beta-galactosaminoside with a Ki of approximately 90 nM, representing a major advancement in potency relative to the characteristically weak nature of most carbohydrate-lectin interactions. 29beta-NAc binds tightly to FmlH by engaging the residues Y46 through edge-to-face pi-stacking with its A-phenyl ring, R142 in a salt-bridge interaction with its carboxylate group, and K132 through water-mediated hydrogen bonding with its N-acetyl group. Administration of 29beta-NAc in a mouse urinary tract infection (UTI) model significantly reduced bladder and kidney bacterial burdens, and coadministration of 29beta-NAc and mannoside 4Z269, which targets the type 1 pilus adhesin FimH, resulted in greater elimination of bacteria from the urinary tract than either compound alone. Moreover, FmlH specifically binds healthy human kidney tissue in a 29beta-NAc-inhibitable manner, suggesting a key role for F9 pili in human kidney colonization. Thus, these glycoside antagonists of FmlH represent a rational antivirulence strategy for UPEC-mediated UTI treatment.
		+
		+	Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.,Kalas V, Hibbing ME, Maddirala AR, Chugani R, Pinkner JS, Mydock-McGrane LK, Conover MS, Janetka JW, Hultgren SJ Proc Natl Acad Sci U S A. 2018 Mar 20;115(12):E2819-E2828. doi:, 10.1073/pnas.1720140115. Epub 2018 Mar 5. PMID:29507247<ref>PMID:29507247</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6as8" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Adhesin 3D structures\|Adhesin 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ecout]]
		+	[[Category: Large Structures]]
	[[Category: Hultgren, S J]]		[[Category: Hultgren, S J]]
	[[Category: Kalas, V]]		[[Category: Kalas, V]]

OCA at 06:29, 28 February 2018

OCA — Wed, 28 Feb 2018 06:29:06 GMT

←Older revision		Revision as of 06:29, 28 February 2018
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-	'''Unreleased structure'''

-	~~The entry 6as8 is ON HOLD until Paper Publication~~	+	==F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside==
-		+	<StructureSection load='6as8' size='340' side='right' caption='[[6as8]], [[Resolution\|resolution]] 2.10Å' scene=''>
-	~~Authors: Kalas, V., Hultgren, S.J.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6as8]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AS8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AS8 FirstGlance]. <br>
-	~~Description:~~ F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BTG:2-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1-biphenyl]-3-carboxylic+acid'>BTG</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<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=6as8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6as8 OCA], [http://pdbe.org/6as8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6as8 RCSB], [http://www.ebi.ac.uk/pdbsum/6as8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6as8 ProSAT]</span></td></tr>
-	[[Category: Hultgren, S.J]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Hultgren, S J]]
	[[Category: Kalas, V]]		[[Category: Kalas, V]]
		+	[[Category: Bacterial adhesion]]
		+	[[Category: Fimbrial adhesin]]
		+	[[Category: Lectin]]
		+	[[Category: Sugar binding protein]]

OCA: Protected "6as8" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 16:44:07 GMT

Protected "6as8" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:44, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 6as8 is ON HOLD until Paper Publication Authors: Kalas, V., Hultgren, S.J. Description: F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-c...

OCA — Wed, 27 Sep 2017 16:44:05 GMT

New page: '''Unreleased structure''' The entry 6as8 is ON HOLD until Paper Publication Authors: Kalas, V., Hultgren, S.J. Description: F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-c...

New page

'''Unreleased structure'''

The entry 6as8 is ON HOLD until Paper Publication

Authors: Kalas, V., Hultgren, S.J.

Description: F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
[[Category: Unreleased Structures]]
[[Category: Hultgren, S.J]]
[[Category: Kalas, V]]