3zl2
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==A thiazolyl-mannoside bound to FimH, orthorhombic space group== | |
| + | <StructureSection load='3zl2' size='340' side='right'caption='[[3zl2]], [[Resolution|resolution]] 1.25Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3zl2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_J96 Escherichia coli J96]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZL2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZL2 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]] 1.251Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BWG:N-{5-[(1R)-1-HYDROXYETHYL]-1,3-THIAZOL-2-YL}-ALPHA-D-MANNOPYRANOSYLAMINE'>BWG</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=3zl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zl2 OCA], [https://pdbe.org/3zl2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zl2 RCSB], [https://www.ebi.ac.uk/pdbsum/3zl2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zl2 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/FIMH_ECOLI FIMH_ECOLI] Involved in regulation of length and mediation of adhesion of type 1 fimbriae (but not necessary for the production of fimbriae). Adhesin responsible for the binding to D-mannose. It is laterally positioned at intervals in the structure of the type 1 fimbriae. In order to integrate FimH in the fimbriae FimF and FimG are needed. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Adherent-invasive Escherichia coli (AIEC) have previously been shown to induce gut inflammation in patients with Crohn's disease (CD). We developed a set of mannosides to prevent AIEC attachment to the gut by blocking the FimH bacterial adhesin. The crystal structure of the FimH lectin domain in complex with a lead thiazolylaminomannoside highlighted the preferential position for pharmacomodulations. A small library of analogues showing nanomolar affinity for FimH was then developed. Notably, AIEC attachment to intestinal cells was efficiently prevented by the most active compound and at around 10000-fold and 100-fold lower concentrations than mannose and the potent FimH inhibitor heptylmannoside, respectively. An ex vivo assay performed on the colonic tissue of a transgenic mouse model of CD confirmed this antiadhesive potential. Given the key role of AIEC in the chronic intestinal inflammation of CD patients, these results suggest a potential antiadhesive treatment with the FimH inhibitors developed. | ||
| - | + | Thiazolylaminomannosides As Potent Antiadhesives of Type 1 Piliated Escherichia coli Isolated from Crohn's Disease Patients.,Brument S, Sivignon A, Dumych TI, Moreau N, Roos G, Guerardel Y, Chalopin T, Deniaud D, Bilyy RO, Darfeuille-Michaud A, Bouckaert J, Gouin SG J Med Chem. 2013 Jun 24. PMID:23795713<ref>PMID:23795713</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3zl2" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Adhesin 3D structures|Adhesin 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Escherichia coli J96]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Bilyy RO]] | ||
| + | [[Category: Bouckaert J]] | ||
| + | [[Category: Brument S]] | ||
| + | [[Category: Chalopin T]] | ||
| + | [[Category: Darfeuille-Michaud A]] | ||
| + | [[Category: Deniaud D]] | ||
| + | [[Category: Dumych TI]] | ||
| + | [[Category: Gouin SG]] | ||
| + | [[Category: Guerardel Y]] | ||
| + | [[Category: Moreau N]] | ||
| + | [[Category: Roos G]] | ||
| + | [[Category: Sivignon A]] | ||
Current revision
A thiazolyl-mannoside bound to FimH, orthorhombic space group
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