4yw6: Difference between revisions

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'''Unreleased structure'''


The entry 4yw6 is ON HOLD  until Paper Publication
==Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA==
<StructureSection load='4yw6' size='340' side='right'caption='[[4yw6]], [[Resolution|resolution]] 1.40&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4yw6]] 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=4YW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4YW6 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]] 1.4&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G0P:N-[(2S)-6-AMINO-1-OXO-1-(PYRROLIDIN-1-YL)HEXAN-2-YL]-4-(BETA-D-GALACTOPYRANOSYLOXY)BENZAMIDE'>G0P</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=4yw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw6 OCA], [https://pdbe.org/4yw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4yw6 RCSB], [https://www.ebi.ac.uk/pdbsum/4yw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4yw6 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.


Authors: Visini, R., Jin, X., Michaud, G., Bergmann, M., Gillon, E., Imberty, A., Stocker, A., Darbre, T., Pieters, R., Reymond, J.-L.
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>


Description: Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Pieters, R]]
<div class="pdbe-citations 4yw6" style="background-color:#fffaf0;"></div>
[[Category: Michaud, G]]
 
[[Category: Gillon, E]]
==See Also==
[[Category: Bergmann, M]]
*[[Galactose-binding lectin|Galactose-binding lectin]]
[[Category: Imberty, A]]
== References ==
[[Category: Visini, R]]
<references/>
[[Category: Reymond, J.-L]]
__TOC__
[[Category: Darbre, T]]
</StructureSection>
[[Category: Stocker, A]]
[[Category: Large Structures]]
[[Category: Jin, X]]
[[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]]
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