Correlated Evolution of Low-Frequency Vibrations and Function in Enzymes
Correlated Evolution of Low-Frequency Vibrations and Function in Enzymes
复制标题
低频振动与酶功能的相关演化
DOI：
10.1021/acs.jpcb.2c05983
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发表时间：
2023
期刊：
影响因子：
--
通讯作者：
Ozkan, S. Banu
中科院分区：
文献类型：
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作者：
Modi, Tushar;Campitelli, Paul;Heyden, Matthias;Ozkan, S. Banu
先前对祖先蛋白质灵活性的研究表明，蛋白质通过改变其天然状态整体来进化其功能。在这里，我们提出了一种更直接的方法来分析蛋白质进化过程中的此类变化，通过比较频率低于 6 THz 的热激活振动，报告集体蛋白质模式的动力学。我们分析了祖先和现存的β-内酰胺酶和硫氧还蛋白的主链振动密度，并观察到振动谱响应进化的显着变化。结合之前观察到的蛋白质灵活性的变化，观察到的振动模式密度的变化表明蛋白质动力学和动态变构是具有特殊催化和生物物理特性的酶进化的关键因素。
Previous studies of the flexibility of ancestral proteins suggest that proteins evolve their function by altering their native state ensemble. Here, we propose a more direct method to analyze such changes during protein evolution by comparing thermally activated vibrations at frequencies below 6 THz, which report on the dynamics of collective protein modes. We analyzed the backbone vibrational density of states of ancestral and extant β-lactamases and thioredoxins and observed marked changes in the vibrational spectrum in response to evolution. Coupled with previously observed changes in protein flexibility, the observed shifts of vibrational mode densities suggest that protein dynamics and dynamical allostery are critical factors for the evolution of enzymes with specialized catalytic and biophysical properties.