Residues flanking the ARKme3T/S motif allow binding of diverse targets to the HP1 chromodomain: Insights from molecular dynamics simulations

• Published in: Biochimica et biophysica acta. General subjects Vol. 1865; no. 1; p. 129771
• Main Authors: Pokorná, Pavlína, Krepl, Miroslav, Šponer, Jiří
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.01.2021
• Subjects: amino acids; Chromodomain; HP1; MD simulations; molecular dynamics; Peptide recognition; peptides; Protein-protein interaction; solvents; CD; Protein-protein interaction; Peptide recognition; CSD; Chromodomain; MD; MD simulations; HP1; PTM

The chromodomain (CD) of HP1 proteins is an established H3K9me3 reader that also binds H1, EHMT2 and H3K23 lysine-methylated targets. Structural experiments have provided atomistic pictures of its recognition of the conserved ARKme3S/T motif, but structural dynamics' contribution to the recogni...