Figure 2.

Characterization of the RNMT–RAM complex in a simulation with bound AdoMet and cap. (A) Structural model of RNMT–RAM (cartoon representation) in complex with AdoMet and cap (stick representations, with magenta and green carbon atoms, respectively). A close-up view shows the ligands within RNMT in a methyl-transfer reactive conformation; the transferred methyl group is indicated by a yellow arrow. Relevant structural elements of RNMT are labelled. In all figures, the simulation systems are schematically annotated by the legend boxes, which specify the presence/absence of RAM (+RAM or RAM omitted) and substrate(s) (ticked green/magenta or empty grey circles for Cap/AdoMet). (B) Time evolution of backbone RMSD (in Å) of the key structural elements of RNMT during the aMD simulations. (C) RMSF values (in Å) of the RNMT residues obtained from aMD simulations.