Langevin network model of myosin.
Langevin network model of myosin.
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肌球蛋白的 Langevin 网络模型。
DOI：
10.1021/jp077042v
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发表时间：
2008
期刊：
影响因子：
--
通讯作者：
Brooks,BernardR
中科院分区：
文献类型：
--
作者：
Miller,BenjaminT;Zheng,Wenjun;Venable,RichardM;Pastor,RichardW;Brooks,BernardR
将朗之万模式理论与蛋白质的粗粒度弹性网络模型（ENM）相结合，得到了朗之万网络模型（LNM）。通过将溶菌酶、肌红蛋白和血红蛋白的实验平移和旋转扩散常数与用Rotne - Prager张量描述的流体动力学相互作用的刚体头模型计算的结果相匹配，为每个α-碳分配了6 Å的流体动力学半径。肌球蛋白II的线性纳米分析表明，所有enm样模式在水粘度下都是过阻尼的。功率冲程前结构（PDB代码：1VOM）的低频LNM模式与功率冲程后结构（1Q5G）的相应模式相比，混合程度要低得多。肌球蛋白“杠杆臂”的四头模型的结果表明，随着阵列偏离线性，模式之间的耦合增加，并且与1VOM和1Q5G的结果一致。所有过阻尼朗格万模式的衰减时间都比溶菌酶和肌凝蛋白计算的旋转翻滚时间短。
Langevin mode theory and the coarse-grained elastic network model (ENM) for proteins are combined to yield the Langevin network model (LNM). Hydrodynamic radii of 6 Å were assigned to each α-carbon on the basis of matching experimental translational and rotational diffusion constants of lysozyme, myoglobin, and hemoglobin with those calculated using a rigid body bead model with hydrodynamic interactions described by the Rotne−Prager tensor. LNM analysis of myosin II indicates that all ENM-like modes are overdamped at water viscosities. The low-frequency LNM modes in the pre-power stroke structure (PDB code: 1VOM) are substantially less mixed than the corresponding modes of the post-power stroke structure (1Q5G). Results from a four-bead model of the myosin “lever arm” indicate that coupling between modes increases as the array departs from linearity and are consistent with the results for 1VOM and 1Q5G. The decay times for all overdamped Langevin modes are shorter than the calculated rotational tumbling times found for lysozyme and myosin.