Linking epigenetic function to electrostatics: The DNMT2 structural model example
Fig 4
The molecules are grouped according to the similarity of the electrostatic potentials from the distance matrix constructed by PIPSA tool. The colour key, above left, indicates the relationship of similarity: where red indicates maximum similarity, whereas violet indicates low similarity. The surfaces are coloured according to the electrostatic potential: Blue for positive potential (5 kT), red for negative (-5 kT) and white for neutral, where kT = kilotesla. The black arrow in the top left structure indicates the target region of mutated residues. (A) Epogram showing the clusters of the comparison of HaeIII electrostatic potentials, at up left are shown the ribbon representation of the region for comparison of the electrostatic potential. (B) Electrostatic potential surface of HaeIII structures (substrate interface). (C) Human MT2 epogram from comparison of electrostatic potentials, at up left are shown the ribbon representation of the region for comparison of the electrostatic potential. (D) Electrostatic potential surface of human MT2 structures (substrate interface) and respective mutations.