Conserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites.
Conserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites.
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DOI：
10.3389/fbioe.2015.00082
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发表时间：
2015
影响因子：
5.7
通讯作者：
Irving HR
中科院分区：
文献类型：
--
作者：
Wong A;Gehring C;Irving HR
蛋白质内的兼职功能中心可以为它们提供迄今为止未被认识的功能。在这里，我们回顾如何隐藏的兼职功能中心，我们定义为具有催化活性或以新的方式调节蛋白质功能的结合位点，可以使用有针对性的生物信息学搜索。在这种搜索中使用的功能基序包括跨物种保守的氨基酸残基，并且其中许多已经基于实验证据被分配了功能作用。以这种方式鉴定的分子在植物中寻找环状单核苷酸环化酶用作实例。当可以开发良好的同源性模型来测试计算机模拟预测中心的功能时，这种计算方法的强度得到增强，这反过来又增加了对所识别的候选人执行预测功能的能力的信心。兼职功能中心的计算表征不是催化的诊断，而是作为一种快速筛选方法，并突出显示来自潜在的大量候选人的可测试目标，用于随后的体外和体内实验，以确认预测的兼职中心的功能。
Moonlighting functional centers within proteins can provide them with hitherto unrecognized functions. Here, we review how hidden moonlighting functional centers, which we define as binding sites that have catalytic activity or regulate protein function in a novel manner, can be identified using targeted bioinformatic searches. Functional motifs used in such searches include amino acid residues that are conserved across species and many of which have been assigned functional roles based on experimental evidence. Molecules that were identified in this manner seeking cyclic mononucleotide cyclases in plants are used as examples. The strength of this computational approach is enhanced when good homology models can be developed to test the functionality of the predicted centers in silico, which, in turn, increases confidence in the ability of the identified candidates to perform the predicted functions. Computational characterization of moonlighting functional centers is not diagnostic for catalysis but serves as a rapid screening method, and highlights testable targets from a potentially large pool of candidates for subsequent in vitro and in vivo experiments required to confirm the functionality of the predicted moonlighting centers.
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DOI：
10.1186/1478-811x-8-15
发表时间：
2010-06-25
期刊：
Cell communication and signaling : CCS
影响因子：
--
作者：
Gehring C
通讯作者：
Gehring C
影响因子：
2.9
作者：
Huang, Sheng-You;Zou, Xiaoqin
通讯作者：
Zou, Xiaoqin
影响因子：
14.9
作者：
Huala, E;Dickerman, AW;Rhee, SY
通讯作者：
Rhee, SY
DOI：
10.1111/tpj.12445
发表时间：
2014-04
期刊：
The Plant journal : for cell and molecular biology
影响因子：
--
作者：
Bojar D;Martinez J;Santiago J;Rybin V;Bayliss R;Hothorn M
通讯作者：
Hothorn M
影响因子：
14.9
作者：
Gould CM;Diella F;Via A;Puntervoll P;Gemünd C;Chabanis-Davidson S;Michael S;Sayadi A;Bryne JC;Chica C;Seiler M;Davey NE;Haslam N;Weatheritt RJ;Budd A;Hughes T;Pas J;Rychlewski L;Travé G;Aasland R;Helmer-Citterich M;Linding R;Gibson TJ
通讯作者：
Gibson TJ