2wc3

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[[Image:2wc3.png|left|200px]]
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==Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine==
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<StructureSection load='2wc3' size='340' side='right' caption='[[2wc3]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2wc3]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Thermotoga_maritima Thermotoga maritima]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WC3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WC3 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AM3:(3Z,5S,6R,7S,8S,8AR)-3-(OCTYLIMINO)HEXAHYDRO[1,3]OXAZOLO[3,4-A]PYRIDINE-5,6,7,8-TETROL'>AM3</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wc4|2wc4]], [[1w3j|1w3j]], [[2j78|2j78]], [[2j75|2j75]], [[2j7g|2j7g]], [[2jal|2jal]], [[2vrj|2vrj]], [[2j7e|2j7e]], [[2j7h|2j7h]], [[2cbu|2cbu]], [[1oin|1oin]], [[2j7c|2j7c]], [[1oif|1oif]], [[2j79|2j79]], [[2cet|2cet]], [[2j7b|2j7b]], [[1uz1|1uz1]], [[1od0|1od0]], [[2ces|2ces]], [[2j7d|2j7d]], [[2j7f|2j7f]], [[2wbg|2wbg]], [[1oim|1oim]], [[2j77|2j77]], [[2cbv|2cbv]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-glucosidase Beta-glucosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.21 3.2.1.21] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wc3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wc3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wc3 RCSB], [http://www.ebi.ac.uk/pdbsum/2wc3 PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wc/2wc3_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Synthesis of a panel of iso(thio)urea-type ring-modified castanospermine analogues bearing a freely mutarotating pseudoanomeric hydroxyl group results in tight-binding beta-glucosidase inhibitors with unusual binding signatures; the presence of an N-octyl substituent imparts a remarkable anomeric selectivity, promoting strong binding of the appropriate beta-anomer by the beta-glucosidase.
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{{STRUCTURE_2wc3| PDB=2wc3 | SCENE= }}
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Glycosidase inhibition by ring-modified castanospermine analogues: tackling enzyme selectivity by inhibitor tailoring.,Aguilar-Moncayo M, Gloster TM, Turkenburg JP, Garcia-Moreno MI, Ortiz Mellet C, Davies GJ, Garcia Fernandez JM Org Biomol Chem. 2009 Jul 7;7(13):2738-47. Epub 2009 May 22. PMID:19532990<ref>PMID:19532990</ref>
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===Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine===
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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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{{ABSTRACT_PUBMED_19532990}}
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==About this Structure==
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[[2wc3]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Thermotoga_maritima Thermotoga maritima]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WC3 OCA].
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==See Also==
==See Also==
*[[Beta-glucosidase|Beta-glucosidase]]
*[[Beta-glucosidase|Beta-glucosidase]]
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*[[MEP cytidylyltransferase|MEP cytidylyltransferase]]
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==Reference==
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== References ==
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<ref group="xtra">PMID:019532990</ref><references group="xtra"/>
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<references/>
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__TOC__
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</StructureSection>
[[Category: Beta-glucosidase]]
[[Category: Beta-glucosidase]]
[[Category: Thermotoga maritima]]
[[Category: Thermotoga maritima]]

Revision as of 09:16, 29 September 2014

Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine

2wc3, resolution 2.00Å

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