Figure 2

Root mean square fluctuations (RMSF) overlay for the five 200 ns repeats conducted with three different systems (left) and superposition of 10 protein conformations extracted from 200 ns simulation of the ornithine-Arginase 1 complex (right). The three flexible loops responsible for the opening of the binding pocket are highlighted in blue in the 3D view. Loops surrounding the active site cavity are labelled with roman numbers (i–iv). Mn atoms are represented in mauve and, the hydroxide group, in red. RMSF plots can be found in bigger format in supporting information.