电压门控离子通道内离子运动的量子力学描述
A Quantum-mechanical description of ion motion within the confining potentials of voltage gated ion channels
摘要：
电压门控通道蛋白在神经细胞之间的膜电位传递中合作。随着原子尺度生物化学的最新进展，现在已经确定这些通道蛋白提供高度相关的原子环境，即使在温暖的温度下也可以保持电子相干性。在这里，我们展示了薛定谔方程的解决方案，代表了一个单一的钾离子在周围的羰基偶极子在Berneche-Roux模型的细菌\textit{KcsA}模型通道的相互作用。我们表明，根据周围的羰基衍生的潜力，碱金属离子可以成为高度离域的蛋白质在温暖的温度下的过滤器区域。我们提供的离子的动能的时间演变的估计取决于它们与其他离子的相互作用，它们的位置内的蛋白质过滤器区域的氧笼，并取决于周围的羰基不同的振荡频率。我们的研究结果提供了第一个证据表明，需要量子力学性质来解释一个基本的生物学特性，如跨膜离子电流中的离子选择性和对门控动力学的影响，并在电可兴奋细胞中形成经典电导。
英文摘要：
Voltage gated channel proteins cooperate in the transmission of membrane potentials between nerve cells. With the recent progress in atomic-scaled biological chemistry it has now become established that these channel proteins provide highly correlated atomic environments that may maintain electronic coherences even at warm temperatures. Here we demonstrate solutions of the Schrödinger equation that represent the interaction of a single potassium ion within the surrounding carbonyl dipoles in the Berneche-Roux model of the bacterial \textit{KcsA} model channel. We show that, depending on the surrounding carbonyl derived potentials, alkali ions can become highly delocalized in the filter region of proteins at warm temperatures. We provide estimations about the temporal evolution of the kinetic energy of ions depending on their interaction with other ions, their location within the oxygen cage of the proteins filter region and depending on different oscillation frequencies of the surrounding carbonyl groups. Our results provide the first evidence that quantum mechanical properties are needed to explain a fundamental biological property such as ion-selectivity in trans-membrane ion-currents and the effect on gating kinetics and shaping of classical conductances in electrically excitable cells.
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