Ligand-Induced Protein Responses and Mechanical Signal Propagation Described by Linear Response Theories
Ligand-Induced Protein Responses and Mechanical Signal Propagation Described by Linear Response Theories
复制标题
线性响应理论描述的配体诱导的蛋白质响应和机械信号传播
DOI：
10.1016/j.bpj.2014.07.049
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发表时间：
2014
影响因子：
3.4
通讯作者：
Bang-chieh Huang and Nobuhiro Go
中科院分区：
文献类型：
--
作者：
Lee-Wei Yang;Akio Kitao;Bang-chieh Huang and Nobuhiro Go
在这项研究中，一般的线性响应理论（LRT）制定的时间依赖性和非依赖性的蛋白质构象变化后，CO与肌红蛋白的结合。使用该理论，我们能够在两个阶段监测蛋白质弛豫。较慢的弛豫被发现发生在4.4至81.2皮秒和时间常数，其特征在于为一对夫妇的芳香族残基同意与所观察到的紫外共振拉曼（UVRR）光谱和时间分辨X-射线晶体学。更快的“早期反应”，早在400飞秒就被触发，当使用脉冲力时，可以通过理论得到最好的描述。新制定的理论描述的机械传播后，配体结合作为一个函数的时间，空间和类型的扰动力。“传播者”，定义为在蛋白质中的所有残基中当扰动时在整个分子中传播信号最快的残基，被发现是进化保守的，并且其突变已被证明在很大程度上改变肌红蛋白中的CO再结合动力学。
In this study, a general linear response theory (LRT) is formulated to describe time-dependent and -independent protein conformational changes upon CO binding with myoglobin. Using the theory, we are able to monitor protein relaxation in two stages. The slower relaxation is found to occur from 4.4 to 81.2 picoseconds and the time constants characterized for a couple of aromatic residues agree with those observed by UV Resonance Raman (UVRR) spectrometry and time resolved x-ray crystallography. The faster "early responses", triggered as early as 400 femtoseconds, can be best described by the theory when impulse forces are used. The newly formulated theory describes the mechanical propagation following ligand-binding as a function of time, space and types of the perturbation forces. The "disseminators", defined as the residues that propagate signals throughout the molecule the fastest among all the residues in protein when perturbed, are found evolutionarily conserved and the mutations of which have been shown to largely change the CO rebinding kinetics in myoglobin.