蛋白质动力学的一致图景。
A consistent picture of protein dynamics.
作者信息
Parak F, Knapp E W
出版信息
Proc Natl Acad Sci U S A. 1984 Nov;81(22):7088-92. doi: 10.1073/pnas.81.22.7088.
Abstract
Information about the protein dynamics of myoglobin obtained by x-ray and Mössbauer investigations is analyzed and compared with computer simulations. Computer simulations give correct amplitudes of mean-square displacements but fail in the description of the time dependence of motions. Our model describes protein dynamics at physiological temperatures as an overdamped diffusion-like motion in a restricted space. The fluctuations occur around the average conformation determined by x-ray structure analysis. The gain in entropy drives the molecule into the transition state and, in this way, accounts for its flexibility.
摘要
分析了通过X射线和穆斯堡尔研究获得的肌红蛋白蛋白质动力学信息，并与计算机模拟结果进行了比较。计算机模拟给出了均方位移的正确幅度，但在描述运动的时间依赖性方面存在不足。我们的模型将生理温度下的蛋白质动力学描述为在受限空间中的过阻尼扩散样运动。波动围绕由X射线结构分析确定的平均构象发生。熵的增加将分子驱动到过渡态，从而解释了其灵活性。
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