...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >A study of communication pathways in methionyl-tRNA synthetase by molecular dynamics simulations and structure network analysis
【24h】

A study of communication pathways in methionyl-tRNA synthetase by molecular dynamics simulations and structure network analysis

机译：通过分子动力学模拟和结构网络分析研究甲硫氨酰-tRNA合成酶的通讯途径

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The enzymes of the family of tRNA synthetases perform their functions with high precision by synchronously recognizing the anticodon region and the aminoacylation region, which are separated by ≈70 Å in space. This precision in function is brought about by establishing good communication paths between the two regions. We have modeled the structure of the complex consisting of Escherichia coli methionyl-tRNA synthetase (MetRS), tRNA, and the activated methi-onine. Molecular dynamics simulations have been performed on the modeled structure to obtain the equilibrated structure of the complex and the cross-correlations between the residues in MetRS have been evaluated. Furthermore, the network analysis on these simulated structures has been carried out to elucidate the paths of communication between the activation site and the anticodon recognition site. This study has provided the detailed paths of communication, which are consistent with experimental results. Similar studies also have been carried out on the complexes (MetRS + activated methonine) and (MetRS + tRNA) along with ligand-free native enzyme. A comparison of the paths derived from the four simulations clearly has shown that the communication path is strongly correlated and unique to the enzyme complex, which is bound to both the tRNA and the activated methionine. The details of the method of our investigation and the biological implications of the results are presented in this article, the method developed here also could be used to investigate any protein system where the function takes place through longdistance communication.
机译：tRNA合成酶家族的酶通过同步识别空间上相距约70Å的反密码子区域和氨基酰化区域，从而高精度地执行其功能。通过在两个区域之间建立良好的通信路径来实现功能上的精度。我们已经建模了由大肠杆菌甲硫氨酸-tRNA合成酶（MetRS），tRNA和活化的甲硫氨酸组成的复合物的结构。已对建模的结构进行了分子动力学模拟，以获得复合物的平衡结构，并评估了MetRS中残基之间的互相关性。此外，已经对这些模拟结构进行了网络分析，以阐明激活位点和反密码子识别位点之间的通信路径。这项研究提供了详细的沟通途径，与实验结果相符。对复合物（MetRS +活化的蛋氨酸）和（MetRS + tRNA）以及不含配体的天然酶也进行了类似的研究。从四个模拟中得出的路径的比较清楚地表明，通信路径与酶复合体密切相关且独特，该复合体既与tRNA结合，又与活化的蛋氨酸结合。本文介绍了我们研究方法的详细信息和结果的生物学含义，此处开发的方法还可以用于研究通过长途通讯发生功能的任何蛋白质系统。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号