Mechanical stability of multidomain proteins and novel mechanical clamps
Mechanical stability of multidomain proteins and novel mechanical clamps
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多域蛋白质的机械稳定性和新型机械夹具
DOI：
10.1002/prot.23001
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
M. Cieplak
中科院分区：
文献类型：
--
作者：
M. Sikora;M. Cieplak
我们估计了318种单链多结构域蛋白的机械稳定性大小，这些蛋白含有多达1021个氨基酸。我们预测存在新型的机械夹具，其中域间接触起着至关重要的作用。机械钳是结构区域，是蛋白质抗拉力的主要来源。在这些夹子中，有一个反对拉应力，因为两个域摆动分开。这种运动使将两个领域连接在一起的接触变得紧张，然后破裂。另一种夹子也涉及拉伸应力，但它源于周围结环对结构区域的固定（不涉及任何二硫键）。还有另一种机制涉及属于两个结构域的螺旋区域之间的剪切。我们还考虑了淀粉样蛋白易感的胱抑素C，它提供了一个双链3D结构域交换蛋白的例子。我们预测，当诱导剪切应变时，这种蛋白质应该承受非常大的应力，可能是800 pN的数量级。该调查是通过在基于结构的粗粒度模型中进行的分子动力学模拟生成的。蛋白质2011;©2011 Wiley‐Liss, Inc。
We estimate the size of mechanostability for 318 multidomain proteins which are single‐chain and contain up to 1021 amino acids. We predict existence of novel types of mechanical clamps in which interdomain contacts play an essential role. Mechanical clamps are structural regions which are the primary source of a protein's resistance to pulling. Among these clamps there is one that opposes tensile stress due to two domains swinging apart. This movement strains and then ruptures the contacts that hold the two domains together. Another clamp also involves tensile stress but it originates from an immobilization of a structural region by a surrounding knot‐loop (without involving any disulfide bonds). Still another mechanism involves shear between helical regions belonging to two domains. We also consider the amyloid‐prone cystatin C which provides an example of a two‐chain 3D domain‐swapped protein. We predict that this protein should withstand remarkably large stress, perhaps of order 800 pN, when inducing a shearing strain. The survey is generated through molecular dynamics simulations performed within a structure‐based coarse grained model. Proteins 2011; © 2011 Wiley‐Liss, Inc.
影响因子：
2.2
作者：
K. Papanikolopoulou;I. Mills-Henry;S. Thol;Yongting Wang;Abby A R Gross;D. Kirschner;S. Decatur;J. King
通讯作者：
K. Papanikolopoulou;I. Mills-Henry;S. Thol;Yongting Wang;Abby A R Gross;D. Kirschner;S. Decatur;J. King
影响因子：
5.6
作者：
Basak, A;Bateman, O;Pande, J
通讯作者：
Pande, J