Department of Chemistry, University of Illinois, Urbana, IL 61801, USA.
Department of Physics, University of Illinois, Urbana, IL 61801, USA.
Nucleic Acids Res. 2022 Aug 12;50(14):8193-8206. doi: 10.1093/nar/gkac599.
The RNA recognition motif (RRM) occurs widely in RNA-binding proteins, but does not always by itself support full binding. For example, it is known that binding of SL1 RNA to the protein U1-70K in the U1 spliceosomal particle is reduced when a region flanking the RRM is truncated. How the RRM flanking regions that together with the RRM make up an 'extended RRM' (eRRM) contribute to complex stability and structural organization is unknown. We study the U1-70K eRRM bound to SL1 RNA by thermal dissociation and laser temperature jump kinetics; long-time molecular dynamics simulations interpret the experiments with atomistic resolution. Truncation of the helix flanking the RRM on its N-terminal side, 'N-helix,' strongly reduces overall binding, which is further weakened under higher salt and temperature conditions. Truncating the disordered region flanking the RRM on the C-terminal side, 'C-IDR', affects the local binding site. Surprisingly, all-atom simulations show that protein truncation enhances base stacking interactions in the binding site and leaves the overall number of hydrogen bonds intact. Instead, the flanking regions of the eRRM act in a distributed fashion via collective interactions with the RNA when external stresses such as temperature or high salt mimicking osmotic imbalance are applied.
RNA 识别基序(RRM)广泛存在于 RNA 结合蛋白中,但它本身并不总是支持完全结合。例如,已知当 RRM 侧翼的区域被截断时,SL1 RNA 与 U1 剪接体颗粒中的蛋白质 U1-70K 的结合会减少。与 RRM 一起构成“扩展 RRM(eRRM)”的 RRM 侧翼区域如何有助于复合物稳定性和结构组织尚不清楚。我们通过热解离和激光温度跃动动力学研究与 SL1 RNA 结合的 U1-70K eRRM;长时间的分子动力学模拟以原子分辨率解释实验。在其 N 端侧翼截断 RRM 侧翼的螺旋,“N-螺旋”,强烈降低整体结合,在更高的盐和温度条件下进一步减弱。截断 RRM 侧 C 端侧翼的无规卷曲区域,“C-IDR”,影响局部结合位点。令人惊讶的是,全原子模拟表明,蛋白质截断增强了结合位点中的碱基堆积相互作用,并保持了完整的氢键数量。相反,当施加模拟渗透压失衡的外部压力(如温度或高盐)时,eRRM 的侧翼区域通过与 RNA 的集体相互作用以分布式方式发挥作用。