Molecular recognition of methylated amino acids and peptides by Pillar[6]MaxQ.

We report the molecular recognition properties of Pillar[]MaxQ (P[]MQ) toward a series of (methylated) amino acids, amino acid amides, and post-translationally modified peptides by a combination of H NMR, isothermal titration calorimetry, indicator displacement assays, and molecular dynamics simulations. We find that P6MQ is a potent receptor for -methylated amino acid side chains. P6MQ recognized the H3K4Me peptide with = 16 nM in phosphate buffered saline.