...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of Biotechnology >Prediction of the solvent affecting site and the computational design of stable Candida antarctica lipase B in a hydrophilic organic solvent.
【24h】

Prediction of the solvent affecting site and the computational design of stable Candida antarctica lipase B in a hydrophilic organic solvent.

机译：溶剂影响位点的预测和在亲水有机溶剂中稳定的南极假丝酵母脂肪酶B的计算设计。

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

Enzyme reactions in organic solvent such as for organic synthesis have great industrial potential. However, enzymes lose their stability in hydrophilic organic solvents due to the deformation of the enzyme by the solvent. It is thus important to enhance the stability of enzymes in hydrophilic organic solvents. Previous approaches have not considered on the interaction between enzymes and solvents due to the lack of information. In this study, the structural motions of the enzyme in methanol cosolvent and the interaction between the enzyme surface and the solvent molecule were investigated using molecular dynamics simulation (MD). By analyzing the MD simulation results, the surface residues of Candida antarctica lipase B (CalB) with higher root mean square deviation (RMSD) in a methanol solvent were considered as methanol affecting site and selected for site-directed mutagenesis. The methanol affecting site was computationally redesigned by lowering the RMSD. Among the candidate mutants, the A8T, A92E, N97Q and T245S mutants showed higher organic solvent stability at various methanol concentrations. The rational approach developed in this study could be applied to the stabilization of other industrial enzymes used in organic solvents
机译：在有机溶剂中的酶反应（例如用于有机合成）具有巨大的工业潜力。然而，由于酶的溶解，酶在亲水性有机溶剂中失去了稳定性。因此，重要的是增强酶在亲水性有机溶剂中的稳定性。由于缺乏信息，以前的方法未考虑酶和溶剂之间的相互作用。在这项研究中，使用分子动力学模拟（MD）研究了甲醇共溶剂中酶的结构运动以及酶表面与溶剂分子之间的相互作用。通过分析MD模拟结果，将在甲醇溶剂中具有较高均方根偏差（RMSD）的南极假丝酵母脂肪酶B（CalB）的表面残留物视为甲醇影响位点，并选择进行定点诱变。通过降低RMSD对甲醇影响部位进行了计算重新设计。在候选突变体中，A8T，A92E，N97Q和T245S突变体在各种甲醇浓度下均显示出更高的有机溶剂稳定性。本研究中开发的合理方法可用于稳定有机溶剂中使用的其他工业酶

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