Metal-binding sites are designed to achieve optimal mechanical and signaling properties.
Metal-binding sites are designed to achieve optimal mechanical and signaling properties.
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DOI：
10.1016/j.str.2010.06.013
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发表时间：
2010-09-08
期刊：
影响因子：
5.7
通讯作者：
Bahar, Ivet
中科院分区：
文献类型：
--
作者：
Dutta, Anindita;Bahar, Ivet
许多蛋白质需要结合金属来实现其功能。我们利用越来越多的金属结合蛋白的结构数据来阐明三个特性：金属结合位点在蛋白质全局动力学中的参与，通过弹性网络模型预测，它们暴露/掩埋在溶剂中，以及它们的信号处理特性，通过马尔可夫随机分析表明。对145个结构数据集的系统分析表明，协调金属离子的残基具有非常有效和精确的信号转导特性。这些性质在其物理性质方面是合理的：参与铰链位点，控制蛋白质集体可接近的最软模式，并占据最小暴露于溶剂的中心位置。我们的观察结果表明，金属结合位点可能是进化选择的，以实现最佳的变构通信。它们还提供了对设计金属结合位点的基本原理的见解，这些原理已被最近设计的新金属结合蛋白所证实。
Many proteins require bound metals to achieve their function. We take advantage of increasing structural data on metal-binding proteins to elucidate three properties: the involvement of metal-binding sites in the global dynamics of the protein, predicted by elastic network models, their exposure/burial to solvent, and their signal-processing properties indicated by Markovian stochastics analysis. Systematic analysis of a dataset of 145 structures reveals that the residues that coordinate metal ions enjoy remarkably efficient and precise signal transduction properties. These properties are rationalized in terms of their physical properties: participation in hinge sites that control the softest modes collectively accessible to the protein and occupancy of central positions minimally exposed to solvent. Our observations suggest that metal-binding sites may have been evolutionary selected to achieve optimum allosteric communication. They also provide insights into basic principles for designing metal-binding sites, which are verified to be met by recently designed de novo metal-binding proteins.
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影响因子：
3
作者：
Eyal, E;Najmanovich, R;Sobolev, V
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期刊：
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