盐对细胞色素 P450 OleP 构象动力学的影响。
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP.
机构信息
Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy.
Center for Life Nano & Neuro-Science, Fondazione Istituto Italiano di Tecnologia, IIT, 00185 Rome, Italy.
出版信息
Molecules. 2023 Jan 13;28(2):832. doi: 10.3390/molecules28020832.
Cytochrome P450 OleP catalytic activity is strongly influenced by its structural dynamic conformational behavior. Here, we combine equilibrium-binding experiments with all-atom molecular dynamics simulations to clarify how different environments affect OleP conformational equilibrium between the open and the closed-catalytic competent-forms. Our data clearly show that at high-ionic strength conditions, the closed form is favored, and, very interestingly, different mechanisms, depending on the chemistry of the cations, can be used to rationalize such an effect.
细胞色素 P450 OleP 的催化活性受到其结构动态构象行为的强烈影响。在这里，我们将平衡结合实验与全原子分子动力学模拟相结合，以阐明不同环境如何影响 OleP 在开放和封闭催化活性构象之间的构象平衡。我们的数据清楚地表明，在高离子强度条件下，封闭构象占优势，而且，非常有趣的是，可以根据阳离子的化学性质，采用不同的机制来合理地解释这种效应。
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