IL-2 Flexible Loops Might Play a Role in IL-2 Interaction with the High-Affinity IL-2 Receptor: A Molecular Dynamics (MD) Study

Figure 4

The radius of gyration (Rg) was plotted against simulation time (ps). Similar Rg values around 1.52 nm were obtained for WT IL-2 (black), IL-2m (red), and IL-2m2 (green) during the MD simulations (a). This indicates similar conformational compactness of WT IL-2 and IL-2m that reported as CD25-independent (i.e., not interacting with IL-2Rαβγ). Also, IL-2m2 showed similar conformational compactness. The surface area solvent accessibility (SASA) for WT IL-2 (black), IL-2m (red), and IL-2m2 (green) as a function of simulation time (b). There was no difference between WT IL-2 and its mutants.

(a)

(b)