3mcy

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{{Seed}}
 
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[[Image:3mcy.png|left|200px]]
 
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==Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.==
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The line below this paragraph, containing "STRUCTURE_3mcy", creates the "Structure Box" on the page.
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<StructureSection load='3mcy' size='340' side='right'caption='[[3mcy]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3mcy]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MCY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3MCY 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]] 2.9&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZH1:METHYL+4-(ALPHA-D-MANNOPYRANOSYLOXY)BIPHENYL-3-CARBOXYLATE'>ZH1</scene></td></tr>
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{{STRUCTURE_3mcy| PDB=3mcy | SCENE= }}
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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=3mcy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mcy OCA], [https://pdbe.org/3mcy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3mcy RCSB], [https://www.ebi.ac.uk/pdbsum/3mcy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3mcy ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9S497_ECOLX Q9S497_ECOLX]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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FimH-mediated cellular adhesion to mannosylated proteins is critical in the ability of uropathogenic E. coli (UPEC) to colonize and invade the bladder epithelium during urinary tract infection. We describe the discovery and optimization of potent small-molecule FimH bacterial adhesion antagonists based on alpha-d-mannose 1-position anomeric glycosides using X-ray structure-guided drug design. Optimized biarylmannosides display low nanomolar binding affinity for FimH in a fluorescence polarization assay and submicromolar cellular activity in a hemagglutination (HA) functional cell assay of bacterial adhesion. X-ray crystallography demonstrates that the biphenyl moiety makes several key interactions with the outer surface of FimH including pi-pi interactions with Tyr-48 and an H-bonding electrostatic interaction with the Arg-98/Glu-50 salt bridge. Dimeric analogues linked through the biaryl ring show an impressive 8-fold increase in potency relative to monomeric matched pairs and represent the most potent FimH antagonists identified to date. The FimH antagonists described herein hold great potential for development as novel therapeutics for the effective treatment of urinary tract infections.
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===Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.===
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Structure-Based Drug Design and Optimization of Mannoside Bacterial FimH Antagonists.,Han Z, Pinkner JS, Ford B, Obermann R, Nolan W, Wildman SA, Hobbs D, Ellenberger T, Cusumano CK, Hultgren SJ, Janetka JW J Med Chem. 2010 May 27. PMID:20507142<ref>PMID:20507142</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3mcy" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20507142 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20507142}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3MCY is a 4 chains structure with sequences from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MCY OCA].
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==Reference==
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<ref group="xtra">PMID:20507142</ref><references group="xtra"/>
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[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: Ford, B A.]]
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[[Category: Large Structures]]
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[[Category: Hultgren, S J.]]
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[[Category: Ford BA]]
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[[Category: Carbohydrate binding protein]]
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[[Category: Hultgren SJ]]
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[[Category: Immunogobulin fold]]
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[[Category: Lectin]]
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[[Category: Mannoside]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 21 09:54:05 2010''
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Current revision

Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.

PDB ID 3mcy

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