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4yw7

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==Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA==
==Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA==
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<StructureSection load='4yw7' size='340' side='right' caption='[[4yw7]], [[Resolution|resolution]] 1.82&Aring;' scene=''>
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<StructureSection load='4yw7' size='340' side='right'caption='[[4yw7]], [[Resolution|resolution]] 1.82&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4yw7]] is a 16 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YW7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YW7 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4yw7]] is a 16 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=4YW7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4YW7 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4J0:(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-DIYLPROPANE-3,1-DIYLOXY})BIS[6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL]'>4J0</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.82&#8491;</td></tr>
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<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=4yw7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4yw7 RCSB], [http://www.ebi.ac.uk/pdbsum/4yw7 PDBsum]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4J0:(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-DIYLPROPANE-3,1-DIYLOXY})BIS[6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL]'>4J0</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4yw7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw7 OCA], [https://pdbe.org/4yw7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4yw7 RCSB], [https://www.ebi.ac.uk/pdbsum/4yw7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4yw7 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://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.
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[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.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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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>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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*[[Galactose-binding lectin|Galactose-binding lectin]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Bergmann, M]]
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[[Category: Large Structures]]
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[[Category: Darbre, T]]
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[[Category: Pseudomonas aeruginosa]]
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[[Category: Gillon, E]]
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[[Category: Bergmann M]]
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[[Category: Imberty, A]]
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[[Category: Darbre T]]
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[[Category: Jin, X]]
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[[Category: Gillon E]]
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[[Category: Michaud, G]]
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[[Category: Imberty A]]
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[[Category: Pieters, R]]
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[[Category: Jin X]]
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[[Category: Reymond, J L]]
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[[Category: Michaud G]]
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[[Category: Stocker, A]]
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[[Category: Pieters R]]
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[[Category: Visini, R]]
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[[Category: Reymond J-L]]
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[[Category: Galactoside]]
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[[Category: Stocker A]]
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[[Category: Lectin]]
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[[Category: Visini R]]
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[[Category: Sugar binding protein]]
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Current revision

Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA

PDB ID 4yw7

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