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Docking and Molecular Dynamics Study of the Carbohydrate Binding Module from Trichoderma reesei Cel7A on the Surfaces of the Cellulose Ⅲ_(1) Crystal

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Journal of Renewable Materials 2020年第8期8卷 863-878页

作者： Toshifumi Yui takuya uto Faculty of Engineering University of MiyazakiMiyazaki889-2192Japan Organization for Promotion of Tenure Track University of MiyazakiMiyazaki889-2192Japan

We report the systematic survey of the binding free energies at the interface between a carbohydrate binding module(CBM)of Cel7A and the celluloseⅢ_(1)crystal model using grid docking searches and molecular dynamics *** two hydrophobic crystal surfaces were involved in the distinct energy minima of the binding free *** complex models,each with the CBM at the minimum energy position,stably formed in the solution *** binding free energies of the celluloseⅢ_(1)complex models,based on both static and dynamics states,were comparable to those of the native cellulose complex ***,the celluloseⅢ_(1)crystal had a larger binding surface,which is compatible with the observed high enzymatic activity of Cel7A for the celluloseⅢ_(1)substrate.

关键词： Carbohydrate binding module Cel7A celluloseⅢ_(1) docking analysis

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Enhancement of Ethanol Production from Napiergrass (<i>Pennisetum purpureum</i>Schumach) by a Low-Moisture Anhydrous Ammonia Pretreatment

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Journal of Sustainable Bioenergy Systems 2013年第3期3卷 179-185页

作者： Masahide Yasuda Keisuke Takeo Hayato Nagai takuya uto Toshifumi Yui Tomoko Matsumoto Yasuyuki Ishii Kazuyoshi Ohta Center for Collaborative Research and Community Cooperation University of Miyazaki Miyazaki Japan Department of Animal and Grassland Sciences Faculty of Agriculture University of Miyazaki Miyazaki Japan Department of Applied Chemistry Faculty of Engineering University of Miyazaki Miyazaki Japan Department of Biochemistry and Applied Biosciences Faculty of Agriculture University of Miyazaki Miyazaki Japan

Napiegrass (Pennisetum purpureum Schumach) was treated with a low-moisture anhydrous ammonia (LMAA) pretreatment by adding an equal weight of water and keeping it under atmospheric ammonia gas at room temperature for four weeks. After the removal of ammonia and washing with water, a simultaneous saccharification and fermentation (SSF) was conducted for the LMAA-pretreated napiergrass (1.33 g) in a buffer solution (8 mL) using a mixture of a cellulase (80 mg) and a xylanase (53 mg) as well as the cell suspension (0.16 mL) of Saccharomyces cerevisiae. Ethanol and xylose resulted in 91.2% and 62.9% yields, respectively. The SSF process was scaled up using LMAA-pretreated napiergrass (100.0 g) to give ethanol (77.2%) and xylose (52.8%). After the removal of ethanol, the pentose fermentation of the SSF solution (40 mL), which contained 1.00 g of xylose, using cell suspension of Escherichia coli KO11 (70 mL) gave 86.3% yield of ethanol. Total ethanol yield reached 68.9% based on xylan (21.4 wt%) and glucan (39.7 wt%) of the LMAA-pretreated napiergrass.

关键词： LMAA SSF Cellulase Xylanase Saccharomyces cerevisiae Escherichia coli KO11

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