8aiy: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older editNewer edit →
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,330,058 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,330,058 edits
No edit summary
Line 1: Line 1:
'''Unreleased structure'''


The entry 8aiy is ON HOLD  until Paper Publication
==STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i)==
<StructureSection load='8aiy' size='340' side='right'caption='[[8aiy]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8aiy]] 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=8AIY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AIY FirstGlance]. <br>
</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=MJO:N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide'>MJO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=8aiy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aiy OCA], [https://pdbe.org/8aiy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aiy RCSB], [https://www.ebi.ac.uk/pdbsum/8aiy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aiy ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9HYN5_PSEAE Q9HYN5_PSEAE]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The Gram-negative pathogen Pseudomonas aeruginosa causes severe infections mainly in immunocompromised or cystic fibrosis patients and is able to resist antimicrobial treatments. The extracellular lectin LecB plays a key role in bacterial adhesion to the host and biofilm formation. For the inhibition of LecB, we designed and synthesized a set of fucosyl amides, sulfonamides, and thiourea derivatives. Then, we analyzed their binding to LecB in competitive and direct binding assays. We identified beta-fucosyl amides as unprecedented high-affinity ligands in the two-digit nanomolar range. X-ray crystallography of one alpha- and one beta-anomer of N-fucosyl amides in complex with LecB revealed the interactions responsible for the high affinity of the beta-anomer at atomic level. Further, the molecules showed good stability in murine and human blood plasma and hepatic metabolism, providing a basis for future development into antibacterial drugs.


Authors:  
Discovery of N-beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.,Mala P, Siebs E, Meiers J, Rox K, Varrot A, Imberty A, Titz A J Med Chem. 2022 Oct 27;65(20):14180-14200. doi: 10.1021/acs.jmedchem.2c01373., Epub 2022 Oct 18. PMID:36256875<ref>PMID:36256875</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 8aiy" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa PAO1]]
[[Category: Imberty A]]
[[Category: Mala P]]
[[Category: Meiers J]]
[[Category: Siebs E]]
[[Category: Titz A]]
[[Category: Varrot A]]
Retrieved from "https://proteopedia.org/8aiy"