The Impact of Charge Regulation and Ionic Intranuclear Environment on the Nucleosome Core Particle.

ABSTRACT: We theoretically investigate how the intranuclear environment influences the charge of a nucleosome core particle (NCP) - the fundamental unit of chromatin consisting of DNA wrapped around a core of histone proteins. The molecular-based theory explicitly considers the size, shape, conformations, charges, and chemical states of all molecular species - thereby linking the structural state with the chemical/charged state of the system. We investigate how variations in monovalent and divalent salt concentrations, as well as pH, affect the charge distribution across different regions of an NCP and quantify the impact of charge regulation. The effective charge of an NCP emerges from a delicate and complex balance involving the chemical dissociation equilibrium of the amino acids and the DNA-phos

SUBMITTER: Nap RJ 

PROVIDER: S-EPMC11601263 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature