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. Author manuscript; available in PMC: 2020 Sep 17.
Published in final edited form as: Birth Defects Res. 2020 Mar 18;112(10):708–717. doi: 10.1002/bdr2.1647

FIGURE 4.

FIGURE 4

Molecular dynamics simulation of KRAS mutated at position 34 show increased dynamics in SW1. (a) In KRASWT, Pro34 interacts with the Mg2+ ion secondarily through hydrogen bonding with a solvent molecule. The distance indicated by the red dashed line is plotted in b. Blue dash lines show nearby polar contacts involving solvent. (b) Distances between side chains of residues 34 and water 1,003 are plotted over time of the simulation