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Establishment of Determining Method of Electron Transfer Pathway in Pnoteins and Production of Pathway Map

蛋白中电子传递途径测定方法的建立及途径图谱的制作

基本信息

批准号：
10480179
负责人：
KAKITANI Toshiaki
金额：
$ 1.34万
依托单位：
Nagoya University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B).
财政年份：
1998
资助国家：
日本
起止时间：
1998 至 2000
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-10480179/
关键词：
electron transfer pathway electron transfer in proteins worm model donor acceptor regulation of electron transfer rate electron tunneling current tunneling pathway map 電子移動連度制御トンネル経路蛋白質電子移動水素結合スルーボンドスルーペーストンネル電流和則 /

项目摘要

Electron transfer in proteins is a very important reaction in energy transduction of photosynthesis and respiration in mitochondria. This electron transfer takes place by the tunneling effect. It is an important problem which part of the protein is used in the tunneling pathway and how the regulation of electron transfer rate is made through the pathway regulation.The theoretical study for determining the electron transfer pathway in proteins has been the main thema in our lab. since 1998. As a plinciple of the study, we aimed to do theoretical calculations reflecting the real structure of proteins without treating them phenomenologically. For this purpose, we obtained the electronic state of the whole protein by the quantum chemical calculations and tried to determine simple electron transfer pathway by an deeply considered theoretical manipulation. We bought a high speed workstation for these calculations. As a typical proteins, we treated azurins modified by the Ru complex at the hystidine residue which was arbitraily introduced by the site-directed mutagenesis. We calculated all the inter atom-atom turnneling currents passing from donor to acceptor. We drew them in the picture of protein by arrows. Furthermore, averaging the currents by the newly developed statistical method, we obtained a picure of averaged tunneling rgion in proteins. Since it looked like winding worm, we called this analysis worm model. The starting point of this model is quite similar to the pathway model previously proposed by Beratan and Onuchic. But its final form is rather similar to the straight one as assumed by Dutton. Namely, the worm model consolidates the two models which were so far considered as quite different models.As a next step, we apply the worm model for the analysis of the electron tunneling pathway of cytochrome c oxidase. Its study is on the way.

蛋白质中的电子传递是线粒体光合作用和呼吸作用能量传递的重要环节。这种电子转移通过隧道效应发生。蛋白质的哪一部分参与了隧穿途径，以及如何通过隧穿途径调节电子传递速率是一个重要的问题，确定蛋白质电子传递途径的理论研究一直是本实验室的主要课题。自1998年以来作为研究的一个原则，我们的目标是在不对蛋白质进行唯象处理的情况下，进行反映蛋白质真实的结构的理论计算。为此，我们通过量子化学计算获得了整个蛋白质的电子态，并试图通过深入考虑的理论操作来确定简单的电子转移途径。我们买了一台高速工作站来进行这些计算。作为一种典型的蛋白质，我们对钌配合物修饰的天青蛋白进行了定点突变。我们计算了从施主到受主的所有原子-原子间的转动电流。我们用箭头把它们画在蛋白质的图片上。此外，用新发展的统计方法对电流进行平均，得到了蛋白质中平均隧穿区的图像。由于它看起来像缠绕的蠕虫，我们称之为蠕虫模型的分析。该模型的出发点与Beratan和Onuchic先前提出的途径模型非常相似。但它的最终形式与达顿所假设的直线形式相当相似。也就是说，蠕虫模型是迄今为止被认为是完全不同的两种模型的统一。作为下一步，我们将蠕虫模型应用于细胞色素c氧化酶的电子隧穿途径的分析。它的研究正在进行中。