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首页> 外文期刊>Chemistry: A European journal >QM/MM study on the light emitters of aequorin chemiluminescence, bioluminescence, and fluorescence: A general understanding of the bioluminescence of several marine organisms
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QM/MM study on the light emitters of aequorin chemiluminescence, bioluminescence, and fluorescence: A general understanding of the bioluminescence of several marine organisms

机译：QM / MM研究水母发光蛋白化学发光，生物发光和荧光的发光体：对几种海洋生物的生物发光的一般理解

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Aequorea victoria is a type of jellyfish that is known by its famous protein, green fluorescent protein (GFP), which has been widely used as a probe in many fields. Aequorea has another important protein, aequorin, which is one of the members of the EF-hand calcium-binding protein family. Aequorin has been used for intracellular calcium measurements for three decades, but its bioluminescence mechanism remains largely unknown. One of the important reasons is the lack of clear and reliable knowledge about the light emitters, which are complex. Several neutral and anionic forms exist in chemiexcited, bioluminescent, and fluorescent states and are connected with the H-bond network of the binding cavity in the protein. We first theoretically investigated aequorin chemiluminescence, bioluminescence, and fluorescence in real proteins by performing hybrid quantum mechanics and molecular mechanics methods combined with a molecular dynamics method. For the first time, this study reported the origin and clear differences in the chemiluminescence, bioluminescence and fluorescence of aequorin, which is important for understanding the bioluminescence not only of jellyfish, but also of many other marine organisms (that have the same coelenterazine caved in different coelenterazine-type luciferases). See jellyfish in a new light: The origin and differences in the chemiluminescence, bioluminescence, and fluorescence of the proteins of the aequorin jellyfish were theoretically investigated by using hybrid quantum mechanics and molecular mechanics methods combined with a molecular dynamics method. The findings are important for understanding the bioluminescence of jellyfish and other marine organisms (see figure).
机译：维多利亚水母（Aequorea victoria）是一种水母，以其著名的蛋白质绿色荧光蛋白（GFP）闻名，该蛋白已在许多领域中广泛用作探针。水母带有另一种重要的蛋白质水母发光蛋白，它是EF手钙结合蛋白家族的成员之一。水母发光蛋白已经用于细胞内钙测量了三十年，但是其生物发光机制仍然未知。重要的原因之一是缺乏关于发光器的清晰可靠的知识，这些知识很复杂。几种中性和阴离子形式以化学激发态，生物发光态和荧光态存在，并与蛋白质结合腔的H键网络相连。我们首先通过执行混合量子力学和分子力学方法与分子动力学方法相结合，在理论上研究了真正蛋白质中的水母发光蛋白化学发光，生物发光和荧光。这项研究首次报道了水母发光蛋白的化学发光，生物发光和荧光的起源和明显的差异，这不仅对了解水母，而且对许多其他海洋生物（具有相同腔肠素的深陷于其中的生物发光）的生物发光具有重要意义。不同的腔肠素型荧光素酶）。从新的角度看到水母：通过使用混合量子力学和分子力学方法结合分子动力学方法，从理论上研究了水母发光蛋白的蛋白质的化学发光，生物发光和荧光的起源和差异。这些发现对于理解水母和其他海洋生物的生物发光非常重要（见图）。

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