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==Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine== | ==Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine== | ||
<StructureSection load='2wc4' size='340' side='right' caption='[[2wc4]], [[Resolution|resolution]] 1.70Å' scene=''> | <StructureSection load='2wc4' size='340' side='right' caption='[[2wc4]], [[Resolution|resolution]] 1.70Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2wc4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[2wc4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_43589 Atcc 43589]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WC4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WC4 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AMF:(3Z,5S,6R,7S,8R,8AS)-3-(OCTYLIMINO)HEXAHYDRO[1,3]THIAZOLO[3,4-A]PYRIDINE-5,6,7,8-TETROL'>AMF</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AMF:(3Z,5S,6R,7S,8R,8AS)-3-(OCTYLIMINO)HEXAHYDRO[1,3]THIAZOLO[3,4-A]PYRIDINE-5,6,7,8-TETROL'>AMF</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wc3|2wc3]], [[1w3j|1w3j]], [[2j78|2j78]], [[2j75|2j75]], [[2j7g|2j7g]], [[2jal|2jal]], [[2vrj|2vrj]], [[2j7e|2j7e]], [[2cbu|2cbu]], [[2j7h|2j7h]], [[1oin|1oin]], [[2j7c|2j7c]], [[2cet|2cet]], [[1oif|1oif]], [[2j79|2j79]], [[2j7b|2j7b]], [[1uz1|1uz1]], [[1od0|1od0]], [[2ces|2ces]], [[2j7d|2j7d]], [[2j7f|2j7f]], [[2wbg|2wbg]], [[1oim|1oim]], [[2j77|2j77]], [[2cbv|2cbv]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wc3|2wc3]], [[1w3j|1w3j]], [[2j78|2j78]], [[2j75|2j75]], [[2j7g|2j7g]], [[2jal|2jal]], [[2vrj|2vrj]], [[2j7e|2j7e]], [[2cbu|2cbu]], [[2j7h|2j7h]], [[1oin|1oin]], [[2j7c|2j7c]], [[2cet|2cet]], [[1oif|1oif]], [[2j79|2j79]], [[2j7b|2j7b]], [[1uz1|1uz1]], [[1od0|1od0]], [[2ces|2ces]], [[2j7d|2j7d]], [[2j7f|2j7f]], [[2wbg|2wbg]], [[1oim|1oim]], [[2j77|2j77]], [[2cbv|2cbv]]</td></tr> | ||
<tr id='activity'><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> | <tr id='activity'><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> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wc4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wc4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wc4 RCSB], [http://www.ebi.ac.uk/pdbsum/2wc4 PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wc4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wc4 OCA], [http://pdbe.org/2wc4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wc4 RCSB], [http://www.ebi.ac.uk/pdbsum/2wc4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wc4 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
</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/ | </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/main_output.php?pdb_ID=2wc4 ConSurf]. | ||
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 2wc4" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Atcc 43589]] | |||
[[Category: Beta-glucosidase]] | [[Category: Beta-glucosidase]] | ||
[[Category: Aguilar, M]] | [[Category: Aguilar, M]] | ||
[[Category: Davies, G J]] | [[Category: Davies, G J]] | ||
Revision as of 20:27, 11 August 2016
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermineStructure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedSynthesis 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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