Capriotti Emidio, Marti-Renom Marc A
Bioinformatics and Genomics Department, Structural Genomics Unit, Centro de Investigación Príncipe Felipe, Valencia, Spain.
Bioinformatics. 2008 Aug 15;24(16):i112-8. doi: 10.1093/bioinformatics/btn288.
The recent discovery of tiny RNA molecules such as microRNAs and small interfering RNA are transforming the view of RNA as a simple information transfer molecule. Similar to proteins, the native three-dimensional structure of RNA determines its biological activity. Therefore, classifying the current structural space is paramount for functionally annotating RNA molecules. The increasing numbers of RNA structures deposited in the PDB requires more accurate, automatic and benchmarked methods for RNA structure comparison. In this article, we introduce a new algorithm for RNA structure alignment based on a unit-vector approach. The algorithm has been implemented in the SARA program, which results in RNA structure pairwise alignments and their statistical significance.
The SARA program has been implemented to be of general applicability even when no secondary structure can be calculated from the RNA structures. A benchmark against the ARTS program using a set of 1275 non-redundant pairwise structure alignments results in inverted approximately 6% extra alignments with at least 50% structurally superposed nucleotides and base pairs. A first attempt to perform RNA automatic functional annotation based on structure alignments indicates that SARA can correctly assign the deepest SCOR classification to >60% of the query structures.
The SARA program is freely available through a World Wide Web server http://sgu.bioinfo.cipf.es/services/SARA/.
Supplementary data are available at Bioinformatics online.
近期诸如微小RNA和小干扰RNA等微小RNA分子的发现正在改变人们对RNA作为简单信息传递分子的看法。与蛋白质类似,RNA的天然三维结构决定其生物活性。因此,对当前的结构空间进行分类对于RNA分子的功能注释至关重要。蛋白质数据银行(PDB)中存放的RNA结构数量不断增加,这就需要更准确、自动且经过基准测试的方法来进行RNA结构比较。在本文中,我们介绍了一种基于单位向量方法的RNA结构比对新算法。该算法已在SARA程序中实现,可生成RNA结构的两两比对及其统计显著性。
即使无法从RNA结构计算出二级结构,SARA程序也已实现具有普遍适用性。使用一组1275个非冗余的两两结构比对结果与ARTS程序进行基准测试,结果显示至少有50%的结构重叠核苷酸和碱基对的比对中,额外比对的比例约为6%。基于结构比对进行RNA自动功能注释的首次尝试表明,SARA能够将最深的SCOR分类正确地分配给超过60%的查询结构。
SARA程序可通过万维网服务器http://sgu.bioinfo.cipf.es/services/SARA/免费获取。
补充数据可在《生物信息学》在线获取。