4ywa: Difference between revisions
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The | ==Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA== | ||
<StructureSection load='4ywa' size='340' side='right'caption='[[4ywa]], [[Resolution|resolution]] 1.19Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4ywa]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YWA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4YWA 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]] 1.192Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4J9:(2R,3R,4S,5R,6R,2R,3R,4S,5R,6R)-2,2-([(2R,3R,4S,5S,6S)-3,4-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,5-DIYL]BIS{1H-1,2,3-TRIAZOLE-1,4-DIYL[(2S,3R,4S,5S,6S)-3,4-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,5-DIYL]-1H-1,2,3-TRIAZOLE-1,4-DIYLMETHANEDIYLOXY})BIS[6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL]'>4J9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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=4ywa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ywa OCA], [https://pdbe.org/4ywa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ywa RCSB], [https://www.ebi.ac.uk/pdbsum/4ywa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ywa ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE] D-galactose specific lectin. Binds in decreasing order of affinity: melibiose, methyl-alpha-D-galactoside, D-galactose, methyl-beta-D-galactoside, N-acetyl-D-galactosamine. Similar to plant lectins in its selective (carbohydrate-specific) hemagglutinating activity. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Multivalent galactosides inhibiting Pseudomonas aeruginosa biofilms may help control this problematic pathogen. To understand the binding mode of tetravalent glycopeptide dendrimer GalAG2 [(Gal-beta-OC6H4CO-Lys-Pro-Leu)4(Lys-Phe-Lys-Ile)2Lys-His-Ile-NH2] to its target lectin LecA, crystal structures of LecA complexes with divalent analog GalAG1 [(Gal-beta-OC6H4CO-Lys-Pro-Leu)2Lys-Phe-Lys-Ile-NH2] and related glucose-triazole linked bis-galactosides 3u3 [Gal-beta-O(CH2)n-(C2HN3)-4-Glc-beta-(C2HN3)-[beta-Glc-4-(N3HC2)]2-(CH2)n-O-beta- Gal (n = 1)] and 5u3 (n = 3) were obtained, revealing a chelate bound 3u3, cross-linked 5u3, and monovalently bound GalAG1. Nevertheless, a chelate bound model better explaining their strong LecA binding and the absence of lectin aggregation was obtained by modeling for all three ligands. A model of the chelate bound GalAG2.LecA complex was also obtained rationalizing its unusually tight LecA binding (KD = 2.5 nM) and aggregation by lectin cross-linking. The very weak biofilm inhibition with divalent LecA inhibitors suggests that lectin aggregation is necessary for biofilm inhibition by GalAG2, pointing to multivalent glycoclusters as a unique opportunity to control P. aeruginosa biofilms. | |||
Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.,Visini R, Jin X, Bergmann M, Michaud G, Pertici F, Fu O, Pukin A, Branson TR, Thies-Weesie DM, Kemmink J, Gillon E, Imberty A, Stocker A, Darbre T, Pieters RJ, Reymond JL ACS Chem Biol. 2015 Aug 28. PMID:26295304<ref>PMID:26295304</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 4ywa" style="background-color:#fffaf0;"></div> | ||
[[Category: | |||
[[Category: Gillon | ==See Also== | ||
[[Category: | *[[Galactose-binding lectin|Galactose-binding lectin]] | ||
[[Category: | == References == | ||
[[Category: | <references/> | ||
[[Category: | __TOC__ | ||
[[Category: | </StructureSection> | ||
[[Category: Stocker | [[Category: Large Structures]] | ||
[[Category: | [[Category: Pseudomonas aeruginosa]] | ||
[[Category: Bergmann M]] | |||
[[Category: Darbre T]] | |||
[[Category: Gillon E]] | |||
[[Category: Imberty A]] | |||
[[Category: Jin X]] | |||
[[Category: Michaud G]] | |||
[[Category: Pieters R]] | |||
[[Category: Reymond J-L]] | |||
[[Category: Stocker A]] | |||
[[Category: Visini R]] | |||
Latest revision as of 10:56, 10 January 2024
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
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