分子模拟研究蛋白质β-折叠区结合随机RNA片段

Molecular Modeling the β-sheet Protein Interacting with the Random RNA Fragment

选取来源于大肠杆菌O157:H7全基因组DNA序列随机转录的3条RNA片段,通过RNAComposer进行结构预测,30个核苷酸的RNA片段均形成了特定的空间结构,构象与碱基排列的序列特异性有关。NPDock可用于RNA-蛋白质相互作用的分子模拟预测,蛋白质的β-结构相对α-螺旋更容易裸露出特定氨基残基的特异性侧链基团,从而易于结合抗原等配体。

The three RNA fragment came from Escherichia coli O157： H7 str.Sakai DNA complete genome, which was transcribed randomly by 30 nucleotides.RNA Composer had been used to RNA structure prediction, the result showed that all of three RNA fragment folded into 3D-structure, and differed from the RNA sequence.NPDock was available to predict RNA-protein interaction on molecular level.β-sheet was more likely to binding ligands thanα-helix during to its freedom R-group of amino acid side chain.