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. Author manuscript; available in PMC: 2018 Jun 6.
Published in final edited form as: J Phys Chem B. 2017 Feb 8;121(7):1485–1498. doi: 10.1021/acs.jpcb.6b11022

Figure 1.

Figure 1

(a) Structures for Rac1 GTPase (left) and plexinB1 RBD (right) in the free form (red for Rac1, blue for loops and magenta for RBD, green for loops), and in the bound form (salmon for Rac1, light blue for loops and pink for RBD, limone/yellow for loops) after microsecond-length simulations. The Rac1 GTPase Switch I (res. 27–44), Switch II (res. 60–74), and the interswitch regions (res. 46–49) in Rac1 GTPase are shown in blue. The RBD-B1 loop regions, L1 (res. 16–26), L3 (res. 69–73), L4 (res. 77–95) are shown in green. RMSF for plexinB1 RBD (b) and Rac1 GTPase (c) in the bound form with HIS in HSD state (red), in the bound form with HIS in HSP state (blue); also shown is the free form (black). The larger fluctuations occur in the loop regions in the RBD and in the switch regions of Rac1 in both states with some considerable changes as discussed.