ELECTRON-TUNNELING PATHWAYS IN PROTEINS - INFLUENCES ON THE TRANSFER RATE
ELECTRON-TUNNELING PATHWAYS IN PROTEINS - INFLUENCES ON THE TRANSFER RATE
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DOI：
10.1007/bf00048296
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发表时间：
1989-12-01
影响因子：
3.7
通讯作者：
ONUCHIC, JN
中科院分区：
文献类型：
--
作者：
BERATAN, DN;ONUCHIC, JN
本文描述了一种计算特定蛋白质中基质元素依赖于供体和受体之间介质的策略。该方案基于先前对小分子的研究，并且足够普遍，可以包含通过键和通过空间对电子隧道相互作用的贡献。这种策略应该可以预测许多蛋白质的相对电子转移速率。因此，它将作为一种设计工具，与单分子计算相比，它将是明确可测试的。作为一个例子，该方法应用于肌红蛋白，并估计了隧穿矩阵元素。描述了模型的定量改进，并讨论了桥接蛋白运动的影响。该方法可用于设计具有特定电子转移率的靶蛋白，用于定点诱变生产。讨论了该技术对了解某些光合反应中心电子转移速率的相关性。
A strategy for calculting the tunneling matrix element dependence on the medium intervening between donor and acceptor in specific proteins is described. The scheme is based on prior studies of small molecules and is general enough to allow inclusion of through bond and through space contributions to the electronic tunneling interaction. This strategy should allow the prediction of relative electron transfer rates in a number of proteins. It will therfore serve as a design tool and will be explicitly testable, in contrast with calculations on single molecules. As an example, the method is applied to ruthenated myoglobin and the tunneling matrix elements are estimated. Quantitative improvements of the model are described and effects due to motion of the bridging protein are discussed. The method should be of use for designing target proteins having tailored electron transfer rates for production with site directed mutagenesis. The relevance of the technique to understanding certain photosynthetic reaction center electron transfer rates is discussed.