...
首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Independent Saturation Of Three Trprs Subsites Generates A Partially Assembled State Similar To Those Observed In Molecular Simulations
【24h】

Independent Saturation Of Three Trprs Subsites Generates A Partially Assembled State Similar To Those Observed In Molecular Simulations

机译:三个Trprs子位点的独立饱和会产生部分组装的状态,类似于在分子模拟中观察到的状态

获取原文
获取原文并翻译 | 示例
           

摘要

Two new crystal structures of Bacillus stearothermophilus trypto-phanyl-tRNA synthetase (TrpRS) afford evidence that a closed interdomain hinge angle requires a covalent bond between AMP and an occupant of either pyrophosphate or tryptophan subsite. They also are within experimental error of a cluster of structures observed in a nonequilibrium molecular dynamics simulation showing partial active-site assembly. Further, the highest energy structure in a minimum action pathway computed by using elastic network models for Open and Pretransition state (PreTS) conformations for the fully liganded TrpRS monomer is intermediate between that simulated structure and a partially disassembled structure from a nonequilibrium molecular dynamics trajectory for the unliganded PreTS. These mutual consistencies provide unexpected validation of inferences drawn from molecular simulations.
机译:嗜热脂肪芽孢杆菌色氨酸-phanyl-tRNA合成酶(TrpRS)的两个新的晶体结构提供了证据,一个封闭的域间铰链角需要AMP和焦磷酸或色氨酸亚位点的占用者之间的共价键。它们也在非平衡分子动力学模拟中观察到的结构簇的实验误差范围内,表明部分活性部位组装。此外,通过使用弹性网络模型对完全配位的TrpRS单体的开放和过渡前状态(PreTS)构象计算的最小作用途径中的最高能量结构介于该模拟结构和非平衡分子动力学轨迹的部分分解结构之间。未配体的PreTS。这些相互的一致性为从分子模拟得出的推论提供了出乎意料的验证。

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