PROTS: a fragment based protein thermo-stability potential.
PROTS: a fragment based protein thermo-stability potential.
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DOI：
10.1002/prot.23163
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发表时间：
2012-01
影响因子：
2.9
通讯作者：
Fang, Jianwen
中科院分区：
文献类型：
--
作者：
Li, Yunqi;Zhang, Jian;Tai, David;Middaugh, C. Russell;Zhang, Yang;Fang, Jianwen
由于其重要的理论意义和实际应用价值，设计热稳定性更高的蛋白质已成为蛋白质工程研究的热点。尽管在过去的几年中进行了广泛的研究，但稳定蛋白质的一般策略仍然难以捉摸。因此，设计热稳定蛋白质的有效和强大的计算算法是至关重要的需求。在这里，我们报告PROTS，一个连续的和结构的四个残基片段为基础的蛋白质热稳定性潜力。PROTS来源于数千种嗜热和嗜温蛋白质结构的非冗余代表性集合以及大量具有实验确定的解链温度变化的点突变。据我们所知，PROTS是第一个基于这两种类型数据的综合分析和挖掘的蛋白质稳定性预测器。除了传统的交叉验证和盲测，我们引入假设的回复突变作为测试蛋白质热稳定性预测的鲁棒性的手段。在所有测试中，PROTS证明了可靠地预测突变诱导的热稳定性变化以及分类嗜热和嗜温蛋白的能力。此外，该白盒预测器允许在残基水平上容易地解释影响突变诱导的蛋白质稳定性变化的因素。
Designing proteins with enhanced thermo-stability has been a main focus of protein engineering because of its theoretical and practical significance. Despite extensive studies in the past years, a general strategy for stabilizing proteins still remains elusive. Thus effective and robust computational algorithms for designing thermo-stable proteins are in critical demand. Here we report PROTS, a sequential and structural four-residue fragment based protein thermo-stability potential. PROTS is derived from a non-redundant representative collection of thousands of thermophilic and mesophilic protein structures and a large set of point mutations with experimentally determined changes of melting temperatures. To the best of our knowledge, PROTS is the first protein stability predictor based on integrated analysis and mining of these two types of data. Besides conventional cross validation and blind testing, we introduce hypothetical reverse mutations as a means of testing the robustness of protein thermo-stability predictors. In all tests, PROTS demonstrates the ability to reliably predict mutation induced thermostability changes as well as classify thermophilic and mesophilic proteins. In addition, this white-box predictor allows easy interpretation of the factors that influence mutation induced protein stability changes at the residue level.
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影响因子：
56.9
作者：
Korkegian, A;Black, ME;Stoddard, BL
通讯作者：
Stoddard, BL
天然蛋白质的稳定性和热适应性的正面设计。
影响因子：
4.3
作者：
Berezovsky, Igor N.;Zeldovich, Konstantin B.;Shakhnovich, Eugene I.
通讯作者：
Shakhnovich, Eugene I.
影响因子：
5.6
作者：
Guerois, R;Nielsen, JE;Serrano, L
通讯作者：
Serrano, L
影响因子：
5.8
作者：
Glyakina, Anna V.;Garbuzynskiy, Sergiy O.;Galzitskaya, Oxana V.
通讯作者：
Galzitskaya, Oxana V.
影响因子：
5.8
作者：
Deutsch, Chris;Krishnamoorthy, Bala
通讯作者：
Krishnamoorthy, Bala