| 酶活性部位柔性的分形分析 |
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| 引用本文： | 彭鑫,张雨薇,王梦凡,齐崴,苏荣欣,何志敏.酶活性部位柔性的分形分析[J].化工学报,2013,64(2):671-675. |
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| 作者姓名： | 彭鑫 张雨薇 王梦凡 齐崴 苏荣欣 何志敏 |
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| 作者单位： | 1. 天津大学化工学院,天津 300072;
2. 化学工程联合国家重点实验室,天津 300072 |
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| 基金项目： | 国家自然科学基金项目，天津市应用基础研究计划面上项目 |
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| 摘 要： | 引言蛋白质三维结构的研究一直是生物学上一个重要而复杂的问题。通过X晶体衍射和核磁共振技术,人们已经积累了大量的蛋白质结构数据,但进一步解析蛋白质结构与功能间的关系,尚存在一定难度。作为非线性科学分支的分形理论(fractaltheory),以其独特的研究方法揭示了自然界中非线性过程内在的随机性及其所具有的特殊规律性。虽然分形理论在20世纪70年代才首次提出1],但
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| 关 键 词： | 分形维数 蛋白质 盒维数 活性部位 结构 |
| 收稿时间： | 2012-08-13 |
| 修稿时间： | 2012-09-30 |
Fractal analysis of flexibility of enzyme active sites |
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| PENG Xin
,
ZHANG Yuwei
,
WANG Mengfan
,
QI Wei
,
SU Rongxin
,
HE Zhimin.Fractal analysis of flexibility of enzyme active sites[J].Journal of Chemical Industry and Engineering(China),2013,64(2):671-675. |
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| Authors: | PENG Xin ZHANG Yuwei WANG Mengfan QI Wei SU Rongxin HE Zhimin |
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| Affiliation: | 1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2. State of Key Laboratory of Chemical Engineering, Tianjin University, Tianjin 300072, China |
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| Abstract: | Fractal geometry provides a mathematical formalism for describing complex spatial and dynamical structures.Therefore the enzyme molecules with irregular and self-similar structure can be studied thoroughly based on the fractal theory.In this paper the principle of box-counting dimension was used to investigate the impact of temperature and inhibitor on the structural changes of global enzymes and active sites of enzymes.The results suggested that the fractal dimension of enzyme molecule was greater than the fractal dimension of its active site.With increasing temperature, the calculated box-counting dimensions of global enzymes and their active sites all increased, especially for active sites.When enzyme was combined to the inhibitor, the dimensions of global enzymes did not change obviously, while the dimensions of active sites all decreased, indicating the decline of complexity for active sites. |
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| Keywords: | fractal dimensions protein box-counting dimension active site structure |
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