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  • 闭海,莫莉,郭媛,林丽华,黄日波,庞浩.环糊精水解酶底物运输通道的动态结构分析[J].广西科学,2014,21(1):12-16.    [点击复制]
  • BI Hai,MO Li,GUO Yuan,LIN Li-hua,HUANG Ri-bo,PANG Hao.Dynamic Structural Study on Substrate Transport Channels of Cyclodextrin Hydrolase[J].Guangxi Sciences,2014,21(1):12-16.   [点击复制]
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环糊精水解酶底物运输通道的动态结构分析
闭海1, 莫莉1, 郭媛2, 林丽华1,2, 黄日波1,2, 庞浩1,2
0
(1.广西大学生命科学与技术学院, 广西南宁 530004;2.广西科学院, 非粮生物质酶解国家重点实验室, 国家非粮生物质能源工程技术研究中心, 广西生物质产业化工程院, 广西生物炼制重点实验室, 广西南宁 530007)
摘要:
[目的]环糊精水解酶是作用于特殊底物的水解酶,可以水解圆锥形结构的底物。分析这个酶的底物通道为水解特殊结构底物提供研究基础。[方法]利用分子动力学模拟环糊精水解酶存在的底物通道,比较环糊精水解酶BsCMD_1J0H和TspCMD_1SMA在底物运输通道上的差异。[结果]BsCMD_1J0H和TspCMD_1SMA都为糖基水解酶家族13的蛋白质,它们的碳骨架基本吻合,而在α-螺旋分布上,TspCMD_1SMA相比于BsCMD_1J0H来说,螺旋结构更趋向于在蛋白质中心聚集。BsCMD_1J0H有6条底物通道连通蛋白质表面和活性中心,TspCMD_1SMA有8条底物通道连通。BsCMD_1J0H的底物通道平均半径为1Å,TspCMD_1SMA的底物通道平均半径为1.2Å。[结论]本研究提供了BsCMD_1J0H和TspCMD_1SMA两个蛋白质在和底物接触中的相关底物通道信息。
关键词:  环糊精水解酶  底物通道  3D结构  底物运输  淀粉
DOI:
投稿时间:2013-08-13修订日期:2013-11-04
基金项目:广西科技合作与交流计划项目(桂科合1347004-1),广西科技攻关项目(桂科攻10123007-3),广西科学院基本科研业务费项目(12YJ25SW05,13YJ22SW),国家自然科学基金项目(21366007)资助。
Dynamic Structural Study on Substrate Transport Channels of Cyclodextrin Hydrolase
BI Hai1, MO Li1, GUO Yuan2, LIN Li-hua1,2, HUANG Ri-bo1,2, PANG Hao1,2
(1.College of Life Science & Technology of Guangxi University, Nanning, Guangxi, 530004, China;2.Guangxi Academy of Sciences, State Key Laboratory of Non-Food Biomass and Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Biomass Industrialization Engineering Institute, Guangxi Key Laboratory of Biorefinery, Nanning, Guangxi, 530007, China)
Abstract:
[Objective] Cyclodextrin hydrolase contains a special function on substrate.It can hydrolyze cyclodextrin molecule with a conical structure.The analysis of the substrate channels of this enzyme would help the basic research on enzymatic hydrolysis of special substrate.[Method] The analyses of substrate tunnels from cyclodextrin hydrolases, named BsCMD_1J0H and TspCMD_1SMA, were performed with the method of molecular dynamics simulation.[Result] These two proteins belong to glycosyl hydrolase family 13.In the structural alignment, bothBsCMD_1J0H and TspCMD_1SMA showed a basic consistent of the carbon skeleton.However, the distribution of the α-helix of TspCMD_1SMA was tend to gathering at the center compared with BsCMD_1J0H.The analysis of substrate channels shows that there are six channels connected protein surface and the active center in BsCMD_1J0H, while eight channels in TspCMD_1SMA.The average radius of substrate tunnels are 1Å and 1.2Å for BsCMD_1J0H and TspCMD_1SMA, respectively.[Conclusion] This study provided the substrate channels of BsCMD_1J0H and TspCMD_1SMA proteins.
Key words:  cyclodextrin hydrolase  substrate channels  3D structure  substrate transport  starch

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