3zl1

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{{STRUCTURE_3zl1| PDB=3zl1 | SCENE= }}
 
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===A thiazolyl-mannoside bound to FimH, monoclinic space group===
 
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{{ABSTRACT_PUBMED_23795713}}
 
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==Function==
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==A thiazolyl-mannoside bound to FimH, monoclinic space group==
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[[http://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.
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<StructureSection load='3zl1' size='340' side='right'caption='[[3zl1]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3zl1]] is a 2 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=3ZL1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZL1 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.551&#8491;</td></tr>
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<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>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3zl1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zl1 OCA], [https://pdbe.org/3zl1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zl1 RCSB], [https://www.ebi.ac.uk/pdbsum/3zl1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zl1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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==About this Structure==
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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>
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[[3zl1]] is a 2 chain structure with sequence from [http://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=3ZL1 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:023795713</ref><references group="xtra"/><references/>
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</div>
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[[Category: Escherichia coli j96]]
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<div class="pdbe-citations 3zl1" style="background-color:#fffaf0;"></div>
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[[Category: Bilyy, R O.]]
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[[Category: Bouckaert, J.]]
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==See Also==
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[[Category: Brument, S.]]
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*[[Adhesin 3D structures|Adhesin 3D structures]]
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[[Category: Chalopin, T.]]
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== References ==
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[[Category: Darfeuille-Michaud, A.]]
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<references/>
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[[Category: Deniaud, D.]]
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__TOC__
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[[Category: Dumych, T I.]]
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</StructureSection>
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[[Category: Gouin, S G.]]
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[[Category: Escherichia coli J96]]
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[[Category: Guerardel, Y.]]
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[[Category: Large Structures]]
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[[Category: Moreau, N.]]
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[[Category: Bilyy RO]]
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[[Category: Roos, G.]]
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[[Category: Bouckaert J]]
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[[Category: Sivignon, A.]]
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[[Category: Brument S]]
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[[Category: Cell adhesion]]
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[[Category: Chalopin T]]
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[[Category: Crohn's disease]]
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[[Category: Darfeuille-Michaud A]]
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[[Category: Immunoglobulin]]
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[[Category: Deniaud D]]
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[[Category: Thiazole]]
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[[Category: Dumych TI]]
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[[Category: Type-1 fimbriae]]
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[[Category: Gouin SG]]
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[[Category: Guerardel Y]]
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[[Category: Moreau N]]
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[[Category: Roos G]]
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[[Category: Sivignon A]]

Current revision

A thiazolyl-mannoside bound to FimH, monoclinic space group

PDB ID 3zl1

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