MetalionRNA：RNA 结构中金属结合位点的计算预测器。
MetalionRNA: computational predictor of metal-binding sites in RNA structures.
机构信息
Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, ul. Ks. Trojdena 4, 02-109 Warsaw, Poland.
出版信息
Bioinformatics. 2012 Jan 15;28(2):198-205. doi: 10.1093/bioinformatics/btr636. Epub 2011 Nov 21.
MOTIVATION
Metal ions are essential for the folding of RNA molecules into stable tertiary structures and are often involved in the catalytic activity of ribozymes. However, the positions of metal ions in RNA 3D structures are difficult to determine experimentally. This motivated us to develop a computational predictor of metal ion sites for RNA structures.
RESULTS
We developed a statistical potential for predicting positions of metal ions (magnesium, sodium and potassium), based on the analysis of binding sites in experimentally solved RNA structures. The MetalionRNA program is available as a web server that predicts metal ions for RNA structures submitted by the user.
AVAILABILITY
The MetalionRNA web server is accessible at http://metalionrna.genesilico.pl/.
动机
金属离子对于 RNA 分子折叠成稳定的三级结构是必不可少的，并且经常参与核酶的催化活性。然而，金属离子在 RNA 三维结构中的位置很难通过实验确定。这促使我们开发一种用于 RNA 结构的金属离子位点的计算预测器。
结果
我们开发了一种统计势能，用于预测金属离子（镁、钠和钾）的位置，该势能基于对实验解决的 RNA 结构中的结合位点的分析。MetalionRNA 程序可作为一个网络服务器使用，用于预测用户提交的 RNA 结构中的金属离子。
可用性
MetalionRNA 网络服务器可在 http://metalionrna.genesilico.pl/ 访问。
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