...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The European physical journal, E. Soft matter >The effect of complex solvents on the structure and dynamics of protein solutions: The case of Lysozyme in trehalose/water mixtures
【24h】

The effect of complex solvents on the structure and dynamics of protein solutions: The case of Lysozyme in trehalose/water mixtures

机译：复杂溶剂对蛋白质溶液结构和动力学的影响：海藻糖/水混合物中溶菌酶的情况

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

We present a Molecular Dynamics simulation study of the effect of trehalose concentration on the structure and dynamics of individual proteins immersed in trehalose/water mixtures. Hen egg-white Lysozyme is used in this study and trehalose concentrations of 0%, 10%, 20%, 30% and 100% by weight are explored. Surprisingly, we have found that changes in trehalose concentration do not change the global structural characteristics of the protein as measured by standard quantities like the mean square deviation, radius of gyration, solvent accessible surface area, inertia tensor and asphericity. Only in the limit of pure trehalose these metrics change significantly. Specifically, we found that the protein is compressed by 2% when immersed in pure trehalose. At the amino acid level there is noticeable rearrangement of the surface residues due to the change in polarity of the surrounding environment with the addition of trehalose. From a dynamic perspective, our computation of the Incoherent Intermediate Scattering Function shows that the protein slows down with increasing trehalose concentration; however, this slowdown is not monotonic. Finally, we also report in-depth results for the hydration layer around the protein including its structure, hydrogen-bonding characteristics and dynamic behavior at different length scales.
机译：我们提出了海藻糖浓度对浸没在海藻糖/水混合物中的单个蛋白质的结构和动力学的影响的分子动力学模拟研究。本研究中使用的是鸡蛋清溶菌酶，其海藻糖浓度为0％，10％，20％，30％和100％（重量）。出乎意料的是，我们发现海藻糖浓度的变化不会改变蛋白质的整体结构特征，如通过均方差，回转半径，溶剂可及表面积，惯性张量和非球面度等标准量所测量的。仅在纯海藻糖的范围内，这些指标才会发生显着变化。具体来说，我们发现将蛋白质浸泡在纯海藻糖中时压缩了2％。在氨基酸水平上，由于周围环境极性的变化以及海藻糖的加入，表面残基发生了明显的重排。从动态的角度来看，我们对非相干中间散射函数的计算表明，蛋白质随着海藻糖浓度的增加而减慢。但是，这种放缓并不是单调的。最后，我们还报告了围绕蛋白质的水合层的深入结果，包括其结构，氢键特征和不同长度尺度下的动力学行为。

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