Collision Cross Sections for Structural Proteomics
Collision Cross Sections for Structural Proteomics
复制标题
DOI：
10.1016/j.str.2015.02.010
复制
发表时间：
2015-04-07
期刊：
影响因子：
5.7
通讯作者：
Benesch, Justin L. P.
中科院分区：
文献类型：
--
作者：
Marklund, Erik G.;Degiacomi, Matteo T.;Benesch, Justin L. P.
离子迁移质谱仪(IM-MS)可以通过报告碰撞截面(CCSS)来研究生物分子的结构。在结构蛋白质组学中开发IM-MS的主要瓶颈在于缺乏结构和模型与实验数据相关联的速度。在这里，我们介绍了Impact(离子迁移率投影近似计算工具)，它克服了这两个挑战，提供了比其他方法快高达106倍的准确CCSS。这使我们能够评估整个结构蛋白质组所呈现的CCS空间，询问蛋白质构象的集合，并监测分子动力学轨迹。我们的数据表明，CCS是一个信息量很大的参数，IM-MS对结构生物学家具有相当大的实用价值。
Ion mobility mass spectrometry (IM-MS) allows the structural interrogation of biomolecules by reporting their collision cross sections (CCSs). The major bottleneck for exploiting IM-MS in structural proteomics lies in the lack of speed at which structures and models can be related to experimental data. Here we present IMPACT (Ion Mobility Projection Approximation Calculation Tool), which overcomes these twin challenges, providing accurate CCSs up to 10 6 times faster than alternative methods. This allows us to assess the CCS space presented by the entire structural proteome, interrogate ensembles of protein conformers, and monitor molecular dynamics trajectories. Our data demonstrate that the CCS is a highly informative parameter and that IM-MS is of considerable practical value to structural biologists.