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. Author manuscript; available in PMC: 2021 Jan 19.
Published in final edited form as: J Phys Chem B. 2016 Jan 27;120(4):667–679. doi: 10.1021/acs.jpcb.5b11110

Figure 4.

Figure 4.

Three-dimensional water density maps have been overlaid on the original crystal structures of GDP-bound K-Ras4B (PDB ID: 4EPT) and GTP-bound K-Ras4B (PDB ID: 3GFT). GDP-bound (A) K-Ras4A and (B) K-Ras4B structures as well as GTP-bound (C) K-Ras4A and (D) K-Ras4B structures are shown. Blue spheres denote positions at which the water densities, as obtained from simulations, overlap with the position of crystallographic water molecules. Differences in the water density figures between K-Ras4A and K-Ras4B are denoted with red dotted circles.