Shvets Alexey A, Kolomeisky Anatoly B
Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts.
Department of Chemistry and Center for Theoretical Biological Physics, Rice University, Houston, Texas.
Biophys J. 2017 Oct 3;113(7):1416-1424. doi: 10.1016/j.bpj.2017.08.013.
The ability to precisely edit and modify a genome opens endless opportunities to investigate fundamental properties of living systems as well as to advance various medical techniques and bioengineering applications. This possibility is now close to reality due to a recent discovery of the adaptive bacterial immune system, which is based on clustered regularly interspaced short palindromic repeats (CRISPR)-associated proteins (Cas) that utilize RNA to find and cut the double-stranded DNA molecules at specific locations. Here we develop a quantitative theoretical approach to analyze the mechanism of target search on DNA by CRISPR RNA-guided Cas9 proteins, which is followed by a selective cleavage of nucleic acids. It is based on a discrete-state stochastic model that takes into account the most relevant physical-chemical processes in the system. Using a method of first-passage processes, a full dynamic description of the target search is presented. It is found that the location of specific sites on DNA by CRISPR Cas9 proteins is governed by binding first to protospacer adjacent motif sequences on DNA, which is followed by reversible transitions into DNA interrogation states. In addition, the search dynamics is strongly influenced by the off-target cutting. Our theoretical calculations allow us to explain the experimental observations and to give experimentally testable predictions. Thus, the presented theoretical model clarifies some molecular aspects of the genome interrogation by CRISPR RNA-guided Cas9 proteins.
精确编辑和修改基因组的能力为研究生命系统的基本特性以及推进各种医学技术和生物工程应用带来了无限机遇。由于最近发现了适应性细菌免疫系统,这种可能性现已接近现实,该系统基于成簇规律间隔短回文重复序列(CRISPR)相关蛋白(Cas),这些蛋白利用RNA在特定位置找到并切割双链DNA分子。在此,我们开发了一种定量理论方法来分析CRISPR RNA引导的Cas9蛋白在DNA上进行靶标搜索的机制,随后是核酸的选择性切割。它基于一个离散状态随机模型,该模型考虑了系统中最相关的物理化学过程。使用首次通过过程的方法,给出了靶标搜索的完整动态描述。研究发现,CRISPR Cas9蛋白在DNA上特定位点的定位首先通过与DNA上的原间隔相邻基序序列结合来控制,随后可逆转变为DNA询问状态。此外,脱靶切割对搜索动力学有强烈影响。我们的理论计算使我们能够解释实验观察结果并给出可实验验证的预测。因此,所提出的理论模型阐明了CRISPR RNA引导的Cas9蛋白对基因组询问的一些分子方面。