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Protein conformational ensembles in function: roles and mechanisms

Ruth Nussinov, Yonglan Liu, Wengang Zhang, Hyunbum Jang

2023RSC Chemical Biology97 citationsDOIOpen Access PDF

Abstract

, 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.

Topics & Concepts

Function (biology)Protein functionChemistryProtein structureBiophysicsComputational biologyBiologyBiochemistryCell biologyGeneProtein Structure and DynamicsComputational Drug Discovery MethodsBioinformatics and Genomic Networks
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