7z62: Difference between revisions
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==Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside== | |||
<StructureSection load='7z62' size='340' side='right'caption='[[7z62]], [[Resolution|resolution]] 1.53Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[7z62]] 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=7Z62 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7Z62 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]] 1.53Å</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IEC:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol'>IEC</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=7z62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7z62 OCA], [https://pdbe.org/7z62 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7z62 RCSB], [https://www.ebi.ac.uk/pdbsum/7z62 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7z62 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 == | |||
In this work, beta-thiogalactoside mimetics bearing 1,1-diarylmethylene or benzophenone aglycons have been prepared and assayed for their affinity towards LecA, a lectin and virulence factor from Pseudomonas aeruginosa involved in bacterial adhesion and biofilm formation. The hit compound presents higher efficiency than previously described monovalent inhibitors and the crystal structure confirmed the occurrence of additional contacts between the aglycone and the protein surface. The highest affinity (160 nM) was obtained for a divalent ligand containing two galactosides. The monovalent high affinity compound (K(d) = 1 muM) obtained through structure-activity relationship (SAR) showed efficient antibiofilm activity with no associated bactericidal activity. | |||
Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.,Bruneau A, Gillon E, Furiga A, Brachet E, Alami M, Roques C, Varrot A, Imberty A, Messaoudi S Eur J Med Chem. 2023 Feb 5;247:115025. doi: 10.1016/j.ejmech.2022.115025. Epub , 2022 Dec 15. PMID:36549118<ref>PMID:36549118</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Varrot | <div class="pdbe-citations 7z62" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Galactose-binding lectin|Galactose-binding lectin]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Pseudomonas aeruginosa PAO1]] | |||
[[Category: Varrot A]] | |||
Latest revision as of 16:29, 1 February 2024
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactosideStructure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
Structural highlights
FunctionPA1L_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. Publication Abstract from PubMedIn this work, beta-thiogalactoside mimetics bearing 1,1-diarylmethylene or benzophenone aglycons have been prepared and assayed for their affinity towards LecA, a lectin and virulence factor from Pseudomonas aeruginosa involved in bacterial adhesion and biofilm formation. The hit compound presents higher efficiency than previously described monovalent inhibitors and the crystal structure confirmed the occurrence of additional contacts between the aglycone and the protein surface. The highest affinity (160 nM) was obtained for a divalent ligand containing two galactosides. The monovalent high affinity compound (K(d) = 1 muM) obtained through structure-activity relationship (SAR) showed efficient antibiofilm activity with no associated bactericidal activity. Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.,Bruneau A, Gillon E, Furiga A, Brachet E, Alami M, Roques C, Varrot A, Imberty A, Messaoudi S Eur J Med Chem. 2023 Feb 5;247:115025. doi: 10.1016/j.ejmech.2022.115025. Epub , 2022 Dec 15. PMID:36549118[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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