6yo3: Difference between revisions
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==LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0== | ==LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0== | ||
<StructureSection load='6yo3' size='340' side='right'caption='[[6yo3]]' scene=''> | <StructureSection load='6yo3' size='340' side='right'caption='[[6yo3]], [[Resolution|resolution]] 1.84Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YO3 OCA]. For a <b>guided tour on the structure components</b> use [ | <table><tr><td colspan='2'>[[6yo3]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YO3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YO3 FirstGlance]. <br> | ||
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | </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=P3K:2,3-bis(oxidanyl)benzenecarbonitrile'>P3K</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">lecA, pa1L, PA2570 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</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=6yo3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo3 OCA], [https://pdbe.org/6yo3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yo3 RCSB], [https://www.ebi.ac.uk/pdbsum/6yo3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo3 ProSAT]</span></td></tr> | |||
</table> | </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 == | |||
Because of the antimicrobial resistance crisis, lectins are considered novel drug targets. Pseudomonas aeruginosa utilizes LecA and LecB in the infection process. Inhibition of both lectins with carbohydrate-derived molecules can reduce biofilm formation to restore antimicrobial susceptibility. Here, we focused on non-carbohydrate inhibitors for LecA to explore new avenues for lectin inhibition. From a screening cascade we obtained one experimentally confirmed hit, a catechol, belonging to the well-known PAINS compounds. Rigorous analyses validated electron-deficient catechols as millimolar LecA inhibitors. The first co-crystal structure of a non-carbohydrate inhibitor in complex with a bacterial lectin clearly demonstrates the catechol mimicking the binding of natural glycosides with LecA. Importantly, catechol 3 is the first non-carbohydrate lectin ligand that binds bacterial and mammalian calcium(II)-binding lectins, giving rise to this fundamentally new class of glycomimetics. | |||
Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-binding Lectins.,Kuhaudomlarp S, Siebs E, Shanina E, Topin J, Joachim I, da Silva Figueiredo Celestino Gomes P, Varrot A, Rognan D, Rademacher C, Imberty A, Titz A Angew Chem Int Ed Engl. 2020 Dec 13. doi: 10.1002/anie.202013217. PMID:33314528<ref>PMID:33314528</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 6yo3" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Imberty A]] | [[Category: Pseae]] | ||
[[Category: Kuhaudomlarp S]] | [[Category: Imberty, A]] | ||
[[Category: Titz A]] | [[Category: Kuhaudomlarp, S]] | ||
[[Category: Titz, A]] | |||
[[Category: Catechol]] | |||
[[Category: Lectin]] | |||
[[Category: Non-carbohydrate glycomimetic]] | |||
[[Category: Pain]] | |||
[[Category: Sugar binding protein]] | |||
Revision as of 07:05, 7 April 2021
LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0
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