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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.

蛋白质中的电子转移是线粒体光合作用和呼吸能量传递中非常重要的反应。这种电子转移是通过隧道效应发生的。蛋白质的哪一部分用于隧道通路以及如何通过通路调节来调节电子传递速率是一个重要的问题。确定蛋白质中电子传递通路的理论研究一直是我们实验室的主要研究方向。自1998年以来。作为这项研究的原则，我们的目标是进行反映蛋白质真实结构的理论计算，而不是对它们进行现象学处理。为此，我们通过量子化学计算获得了整个蛋白质的电子状态，并尝试通过深思熟虑的理论操作来确定简单的电子转移途径。我们购买了一个高速工作站来进行这些计算。作为一种典型的蛋白质，我们对通过定点诱变任意引入的组氨酸残基处的Ru复合物修饰的天青蛋白进行了处理。我们计算了从供体到受体的所有原子间转动电流。我们用箭头将它们画在蛋白质图中。此外，通过新开发的统计方法对电流进行平均，我们获得了蛋白质中平均隧道区域的图片。由于它看起来像缠绕蜗杆，我们将这种分析称为蜗杆模型。该模型的出发点与Beratan和Onuchic之前提出的通路模型非常相似。但它的最终形式与达顿假设的直形非常相似。也就是说，蠕虫模型巩固了迄今为止被认为完全不同的两个模型。下一步，我们应用蠕虫模型来分析细胞色素c氧化酶的电子隧道途径。它的研究正在进行中。