| 段秉亚,王天元,孙应飞.化学通报,2019,82(3):221-230. |
| 计算机辅助的金属蛋白设计与改造研究进展 |
| Research Progress in Computer Aided Metalloprotein Design and Engineering |
| 投稿时间：2018-10-15 修订日期：2018-11-10 |
| DOI： |
| 中文关键词: 金属蛋白，计算机辅助蛋白设计，酶的从头设计，基因密码子扩展 |
| 英文关键词:Metalloprotein, Computer aided protein design, Enzyme de novo design, Genetic code expansion |
| 基金项目: |
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| 中文摘要: |
| 金属蛋白是一类含有金属离子的蛋白的统称,具有特殊的催化活性,在生物体中发挥着重要作用,其结构与功能的关系已经得到了较为充分的研究。在此基础上,通过模拟已知金属蛋白的活性位点,利用计算机辅助设计的方法,可以人工设计得到具有特定结构和功能的金属蛋白。本文综述了近期计算机辅助金属蛋白设计与改造领域的研究进展,概括了引入金属离子结合位点和改造蛋白活性的一般规律,总结了计算机辅助设计的优势以及目前存在的问题和挑战,并展望了此领域未来发展的方向和可能的突破点。 |
| 英文摘要: |
| Metalloproteins are proteins containing metal ions which play important roles in biology system due to their special catalytic activity. A lot of study has been done to elucidate their structure and function mechanism. Based on the active site mimic of existing metalloprotein, artificially designed metalloproteins with specific structure and function can be obtained through computer aided protein design method. In this paper, research progress in computer aided metalloprotein design and engineering was reviewed. The general principle for introducing metal ion binding site and protein activity enhancement was summarized. We also presented current problem and challenge in this field, along with future directions and probable breakthrough point. |
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