QIBEBT-IR  > 仿真与模拟团队
Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state
Wang, Yefei1,2; Song, Xiangfei1,2; Zhang, Shujun1,2; Li, Jingwen1,2; Shu, Zhiyu1,2; He, Chunyan1,2; Huang, Qingshan1,2; Yao, Lishan1,2
2016-06-01
发表期刊BIOTECHNOLOGY AND BIOENGINEERING
卷号113期号:6页码:1171-1177
摘要Trichoderma reesei (Tr.) cellulases, which convert cellulose to reducing sugars, are a promising catalyst used in the lignocellulosic biofuel production. Improving Tr. cellulases activity, though very difficult, is highly desired due to the recalcitrance of lignocellulose. Meanwhile, it is preferable to enhance the cellulase's promiscuity so that substrates other than cellulose can also be hydrolyzed. In this work, an attempt is made to improve the catalytic activity of a major endogluanase Tr. Cel7B against xylan which crosslinks with cellulose in lignocellulose. By using quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations, the transition state of the xylo-oligosaccharide hydrolysis is identified. Then, mutations are introduced and their effect on the transition state stabilization is ranked based on the free energy calculations. Seven top ranked mutants are evaluated experimentally. Three mutants A208Q, A222D, and G230R show a higher activity than the wild-type Tr. Cel7B in the hydrolysis of xylan (by up to 47%) as well as filter paper (by up to 50%). The combination of the single mutants can further improve the enzyme activity. Our work demonstrates that the free energy method is effective in engineering the Tr. Cel7B activity against xylan and cellulose, and thus may also be useful for improving the activity of other Tr. cellulases. (C) 2015 Wiley Periodicals, Inc.
文章类型Article
关键词Cel7b Transition State Cellulase Molecular Dynamics Simulation Protein Engineering
WOS标题词Science & Technology ; Life Sciences & Biomedicine
DOI10.1002/bit.25887
关键词[WOS]CELLULOSE HYDROLYSIS ; CELLOBIOHYDROLASE I ; QM/MM METADYNAMICS ; CATALYTIC MECHANISM ; CRYSTAL-STRUCTURE ; ENDOGLUCANASE-I ; FREE-ENERGIES ; ENZYMES ; RESOLUTION ; COMPLEX
收录类别SCI
语种英语
WOS研究方向Biotechnology & Applied Microbiology
项目资助者National Natural Science Foundation of China(21173247 ; "135'' Projects Fund of CAS-QIBEBT Director Innovation Foundation ; 21106169 ; 31400061)
WOS类目Biotechnology & Applied Microbiology
WOS记录号WOS:000375119900003
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.qibebt.ac.cn/handle/337004/8266
专题仿真与模拟团队
作者单位1.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Shandong Prov Key Lab Synthet Biol, Qingdao 266061, Peoples R China
2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Lab Biofuels, Qingdao 266061, Peoples R China
推荐引用方式
GB/T 7714
Wang, Yefei,Song, Xiangfei,Zhang, Shujun,et al. Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state[J]. BIOTECHNOLOGY AND BIOENGINEERING,2016,113(6):1171-1177.
APA Wang, Yefei.,Song, Xiangfei.,Zhang, Shujun.,Li, Jingwen.,Shu, Zhiyu.,...&Yao, Lishan.(2016).Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state.BIOTECHNOLOGY AND BIOENGINEERING,113(6),1171-1177.
MLA Wang, Yefei,et al."Improving the activity of Trichoderma reesei cel7B through stabilizing the transition state".BIOTECHNOLOGY AND BIOENGINEERING 113.6(2016):1171-1177.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Wang, Yefei]的文章
[Song, Xiangfei]的文章
[Zhang, Shujun]的文章
百度学术
百度学术中相似的文章
[Wang, Yefei]的文章
[Song, Xiangfei]的文章
[Zhang, Shujun]的文章
必应学术
必应学术中相似的文章
[Wang, Yefei]的文章
[Song, Xiangfei]的文章
[Zhang, Shujun]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。