Lakhno V D, Chuev G N, Ustinin M N, Komarov V M
Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino, Moscow Region, Russia.
Biofizika. 1998 Nov-Dec;43(6):953-7.
Based on the assumption that electron transfer between globular proteins occurs by a collective excitation of polaron type, the dependence of the rate of this process on the distance between the donor and acceptor centers with regard to their detailed electron structure was calculated. The electron structure of the heme was calculated by the quantum-chemical MNDO-PM3 method. The results were compared with experimental data on interprotein and intraglobular electron transfer. It is shown that, in the framework of this model, the electron transfer is not exponential and does not require a particular transfer pathway since the whole protein macromolecule is involved in the formation of the electron excited state.
基于球状蛋白质之间的电子转移是通过极化子类型的集体激发发生的这一假设,计算了该过程的速率对供体和受体中心之间距离的依赖性,同时考虑了它们详细的电子结构。通过量子化学MNDO-PM3方法计算了血红素的电子结构。将结果与关于蛋白质间和球体内电子转移的实验数据进行了比较。结果表明,在该模型的框架内,电子转移不是指数型的,并且不需要特定的转移途径,因为整个蛋白质大分子都参与了电子激发态的形成。