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. Author manuscript; available in PMC: 2013 Apr 17.
Published in final edited form as: J Mol Biol. 2011 Nov 22;415(3):455–463. doi: 10.1016/j.jmb.2011.11.025

Fig. 4.

Fig. 4

Water coordination near photoactive sites of BR, SRII, and BR_A215T. (a) Snapshot of native BR molecular dynamics simulation taken at ~80 ns. Water molecules (red and white) are localized between retinal and Arg82. (b) Snapshot of native SRII simulation taken at ~80 ns. Water molecules (red and white) are localized near retinal and Arg72, although at least two molecules are seen toward the cytoplasmic region of the protein. (c) Snapshot of BR_A215T mutant simulation taken at ~80 ns. A chain of water molecules (red and white) is visible from the cytoplasmic region above the retinal, and this extends into a region between retinal and Arg82, toward the periplasmic region. This arrangement is not observed in native BR or SRII.