大肠杆菌DNA光解酶中的电子转移途径：色氨酸306至FADH。
Pathways of electron transfer in Escherichia coli DNA photolyase: Trp306 to FADH.
作者信息
Cheung M S, Daizadeh I, Stuchebrukhov A A, Heelis P F
机构信息
Department of Chemistry, University of California, Davis, California 95616, USA.
出版信息
Biophys J. 1999 Mar;76(3):1241-9. doi: 10.1016/S0006-3495(99)77287-5.
Abstract
We describe the results of a series of theoretical calculations of electron transfer pathways between Trp306 and *FADH. in the Escherichia coli DNA photolyase molecule, using the method of interatomic tunneling currents. It is found that there are two conformationally orthogonal tryptophans, Trp359 and Trp382, between donor and acceptor that play a crucial role in the pathways of the electron transfer process. The pathways depend vitally on the aromaticity of tryptophans and the flavin molecule. The results of this calculation suggest that the major pathway of the electron transfer is due to a set of overlapping orthogonal pi-rings, which starts from the donor Trp306, runs through Trp359 and Trp382, and finally reaches the flavin group of the acceptor complex, FADH.
摘要
我们使用原子间隧穿电流方法，描述了一系列关于大肠杆菌DNA光解酶分子中色氨酸306（Trp306）与*FADH之间电子转移途径的理论计算结果。研究发现，在供体和受体之间存在两个构象正交的色氨酸，即色氨酸359（Trp359）和色氨酸382（Trp382），它们在电子转移过程的途径中起着关键作用。这些途径在很大程度上取决于色氨酸和黄素分子的芳香性。该计算结果表明，电子转移的主要途径是由于一组重叠的正交π环，其从供体色氨酸306开始，经过色氨酸359和色氨酸382，最终到达受体复合物FADH的黄素基团。
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