| Furcatin 水解酶的三维结构模建和与furcatin 的对接研究 |
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| 引用本文： | 韩葳葳,李泽生,潘秀梅,郑清川,孙家钟. Furcatin 水解酶的三维结构模建和与furcatin 的对接研究[J]. 分子科学学报, 2005, 21(6): 60-64 |
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| 作者姓名： | 韩葳葳 李泽生 潘秀梅 郑清川 孙家钟 |
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| 作者单位： | 吉林大学理论化学研究所,吉林,长春,130023 |
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| 摘 要： | 利用同源模建和动力学模拟方法，模建了furcatin水解酶（FH）的三维结构．并在这基础上，分析了活性位点的组成和结构．研究了furcatin与FH的对接．结果表明，Ser84，Arg146，Thr189，Thr234和Gly372在复合物的形成过程中起重要的作用．其中，Ser84，Argl46和Thr189是在FH的活性口袋的二糖部分的亚单位一1中重要的氨基酸，Thr234和Gly372是亚单位-2中重要的氨基酸．
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| 关 键 词： | 同源模建 furcatin水解酶 分子动力学 |
| 文章编号： | 1000-9035(2005)06-0060-05 |
| 收稿时间： | 2005-10-24 |
| 修稿时间： | 2005-10-24 |
Homology modeling and docking studies of furcatin hydrolase |
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| HAN Wei-wei,LI Ze-sheng,PAN Xiu-mei,ZHENG Qing-quan,SUN Jia-zhong. Homology modeling and docking studies of furcatin hydrolase[J]. Journal of Molecular Science, 2005, 21(6): 60-64 |
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| Authors: | HAN Wei-wei LI Ze-sheng PAN Xiu-mei ZHENG Qing-quan SUN Jia-zhong |
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| Affiliation: | Institute of Theoretical Chemistry, Jinlin University, Changchun 130023, China |
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| Abstract: | The three dimensional structure of furcating hydrolase (FH) was modeled by using homology and molecular dynamics methods. On the basis of the modeling, the components and structure of active site in FH were analyzed. The docking of furcatin with FH has been investigated, and the results show that the residues Ser84,Arg146,Thr189,Thr234,and Gly372 are important in binding of the complex. Ser84,Arg146,and Thr189 are important residues for subsite -1 for the disaccharide binding pocket in the active site of FH. Thr234 and Gly372 are important residues for subsite -2. |
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| Keywords: | homology furcating hydrolase molecular dynamics |
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