Induced fit versus conformational selection: From rate constants to fluxes… and back to rate constants.

ABSTRACT: Induced fit- (IF) and conformational selection (CS) binding mechanisms have long been regarded to be mutually exclusive. Yet, they are now increasingly considered to produce the final ligand-target complex alongside within a thermodynamic cycle. This viewpoint benefited from the introduction of binding fluxes as a tool for analyzing the overall behavior of such cycle. This study aims to provide more vivid and applicable insights into this emerging field. In this respect, combining differential equation- based simulations and hitherto little explored alternative modes of calculation provide concordant information about the intricate workings of such cycle. In line with previous reports, we observe that the relative contribution of IF increases with the ligand concentration at equilibrium. Y

SUBMITTER: Vauquelin G 

PROVIDER: S-EPMC8404059 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature