Protein conformational ensembles in function: roles and mechanisms

作者：Ruth Nussinov, Yonglan Liu, Wengang Zhang, Hyunbum Jang · 发表于：RSC Chemical Biology · 年份：2023 · DOI：10.1039/d3cb00114h · 被引用次数：112 · 研究领域：Protein Structure and Dynamics、Computational Drug Discovery Methods、Bioinformatics and Genomic Networks

, by high affinity interactions or mutations, their ensembles shift to occupy the active states. Here we discuss the role of conformational propensities in function. We provide multiple examples of diverse systems, including protein kinases, lipid kinases, and Ras GTPases, discuss diverse conformational mechanisms, and provide a broad outlook on protein ensembles in the cell. We propose that the number of molecules in the active state (inactive for repressors), determine protein function, and that the dynamic, relative conformational propensities, rather than the rigid structures, are the hallmark of cell life.