| 计算机模拟短小芽孢杆菌木聚糖酶与底物木聚糖的对接 |
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| 引用本文： | 林锦霞,张燎原,张光亚,方柏山.计算机模拟短小芽孢杆菌木聚糖酶与底物木聚糖的对接[J].微生物学报,2007,23(4). |
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| 作者姓名： | 林锦霞 张燎原 张光亚 方柏山 |
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| 作者单位： | 工业生物技术福建省高等学校重点实验室（华侨大学）， 泉州 362021;华东理工大学，上海 200237;工业生物技术福建省高等学校重点实验室（华侨大学）， 泉州 362021;华东理工大学，上海 200237;工业生物技术福建省高等学校重点实验室（华侨大学）， 泉州 362021;工业生物技术福建省高等学校重点实验室（华侨大学）， 泉州 362021 |
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| 基金项目： | 国家973重点基础研究发展规划项目(No.2007CB707804)，国家自然科学基金(No.20046004, 20676048)和福建省科技基金(No.20031020)资助。 |
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| 摘 要： | 克隆测序短小芽孢杆菌（Bacillus pumilus）木聚糖酶基因，在同源建模所得三维结构的基础上寻找底物结合可能的活性口袋，用计算机模拟其与底物木聚糖的对接，预测酶与催化反应过程的关键氨基酸残基。所得的信息对木聚糖酶的定向改造有重要意义。
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| 关 键 词： | 分子对接，短小芽孢杆菌木聚糖酶，活性口袋 |
Molecular Docking of Bacillus Pumilus Xylanase and Xylan Substrate Using Computer Modeling |
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| LIN Jin_Xi,ZHANG Liao-Yuan,ZHANG Guang-Ya and FANG Bai-Shan.Molecular Docking of Bacillus Pumilus Xylanase and Xylan Substrate Using Computer Modeling[J].Acta Microbiologica Sinica,2007,23(4). |
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| Authors: | LIN Jin_Xi ZHANG Liao-Yuan ZHANG Guang-Ya and FANG Bai-Shan |
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| Institution: | Key Laboratory of Industrial Biotechnology, Hua Qiao University, Fujian Quanzhou, 362021;East China University of Science and Technology, Shanghai, 200237;Key Laboratory of Industrial Biotechnology, Hua Qiao University, Fujian Quanzhou, 362021;East China University of Science and Technology, Shanghai, 200237;Key Laboratory of Industrial Biotechnology, Hua Qiao University, Fujian Quanzhou, 362021;Key Laboratory of Industrial Biotechnology, Hua Qiao University, Fujian Quanzhou, 362021 |
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| Abstract: | Bacillus pumilus xylanase was cloned and sequenced. Based on the tertiary structure that originated from homology modeling, the potential active pocket was searched and ligand-protein docking was performed using relative softwares. The information extracted from the molecular docking is analyzed; several amino acid residues might play a vital role in the xylanase catalytic reaction are obtained to instruct the further modification of xylanase directed-evolution. |
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| Keywords: | molecular docking Bacillus pumilus xylanase active pocket |
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