Title

Resolving Three-State Ligand-Binding Mechanisms By Isothermal Titration Calorimetry: A Simulation Study

Document Type

Article

Language

English

Publication Date

6-2017

Publisher

Cold Spring Harbor Laboratory Press

Source Publication

bioRxiv beta: the Preprint Server for Biology

Abstract

In this paper, I theoretically analyzed ITC profiles for three-state equilibria involving ligand binding coupled to isomerization or dimerization transitions. Simulations demonstrate that the mechanisms where the free or ligand-bound protein undergoes dimerization (such that the ligand cannot bind to or dissociate from the dimer) produce very distinctive titration profiles. In contrast, profiles of the pre-existing equilibrium or induced-fit models cannot be distinguished from a simple two-state process, requiring data from additional techniques to positively identify these mechanisms.

Comments

bioRxiv beta: the Preprint Server for Biology (June 2017). DOI