4j28

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{{STRUCTURE_4j28| PDB=4j28 | SCENE= }}
 
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===Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor===
 
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==About this Structure==
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==Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor==
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[[4j28]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4J28 OCA].
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<StructureSection load='4j28' size='340' side='right'caption='[[4j28]], [[Resolution|resolution]] 1.73&Aring;' scene=''>
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[[Category: Bacteroides thetaiotaomicron vpi-5482]]
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== Structural highlights ==
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[[Category: Wright, D W.]]
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<table><tr><td colspan='2'>[[4j28]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_VPI-5482 Bacteroides thetaiotaomicron VPI-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4J28 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4J28 FirstGlance]. <br>
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[[Category: Alpha-l-fucosidase]]
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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]] 1.73&#8491;</td></tr>
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EAT:(2S,3S,4R,5S)-2-(1H-BENZIMIDAZOL-2-YL)-5-METHYLPYRROLIDINE-3,4-DIOL'>EAT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4j28 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4j28 OCA], [https://pdbe.org/4j28 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4j28 RCSB], [https://www.ebi.ac.uk/pdbsum/4j28 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4j28 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q8A3I4_BACTN Q8A3I4_BACTN]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Fucosidases, enzymes that cleave fucose from the non-reducing end of a glycan, represent promising medicinal targets reflecting their roles in cancer metastasis, inflammation, host-parasite interactions and the lysosomal storage disorder fucosidosis. The X-ray crystal structures of Bacteroides thetaiotaomicron GH29 alpha-l-fucosidase (BtFuc2970) in a new crystal form (at a resolution of 1.59A) and liganded with a 5-membered iminocyclitol inhibitor (1.73A) are reported herein. The 5-membered iminocyclitol binds in a (3)E conformation, mimicking the proposed (3)H4 half chair transition-state of the enzyme catalysed reaction, and its Ki for BtFuc2970 was determined as 2muM. Structural analysis of fucosidase inhibition through 5-membered iminocyclitols will aid in the rational design of more potent fucosidase inhibitors for treatment of a range of medical conditions.
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Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.,Wright DW, Moreno-Vargas AJ, Carmona AT, Robina I, Davies GJ Bioorg Med Chem. 2013 Aug 15;21(16):4751-4. doi: 10.1016/j.bmc.2013.05.056. Epub , 2013 Jun 13. PMID:23830696<ref>PMID:23830696</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 4j28" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Bacteroides thetaiotaomicron VPI-5482]]
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[[Category: Large Structures]]
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[[Category: Wright DW]]

Current revision

Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor

PDB ID 4j28

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