Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting beta-glucosidases |
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| Authors: | Varrot Annabelle Macdonald James Stick Robert V Pell Gavin Gilbert Harry J Davies Gideon J |
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| Affiliation: | Structural Biology Laboratory, Department of Chemistry, The University of York, Heslington, York, UK Y010 5YW. |
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| Abstract: | A cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation upon binding to cellobiohydrolase Cel6A from Humicola insolens, highlighting the different conformational itineraries used by various glycosidases, with consequences for the design of therapeutic agents. |
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