6yoh
From Proteopedia
(Difference between revisions)
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==LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 61445-50-9== | ==LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 61445-50-9== | ||
| - | <StructureSection load='6yoh' size='340' side='right'caption='[[6yoh]]' scene=''> | + | <StructureSection load='6yoh' size='340' side='right'caption='[[6yoh]], [[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=6YOH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YOH FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[6yoh]] is a 4 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=6YOH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YOH FirstGlance]. <br> |
| - | </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=6yoh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yoh OCA], [https://pdbe.org/6yoh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yoh RCSB], [https://www.ebi.ac.uk/pdbsum/6yoh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yoh ProSAT]</span></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.84Å</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=P4H:[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone'>P4H</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=6yoh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yoh OCA], [https://pdbe.org/6yoh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yoh RCSB], [https://www.ebi.ac.uk/pdbsum/6yoh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yoh 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. | ||
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| + | 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 6yoh" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Galactose-binding lectin|Galactose-binding lectin]] | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| + | [[Category: Pseudomonas aeruginosa PAO1]] | ||
[[Category: Imberty A]] | [[Category: Imberty A]] | ||
[[Category: Kuhaudomlarp S]] | [[Category: Kuhaudomlarp S]] | ||
[[Category: Titz A]] | [[Category: Titz A]] | ||
[[Category: Varrot A]] | [[Category: Varrot A]] | ||
Current revision
LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 61445-50-9
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