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. 2019 Oct 23;14(10):e0224271. doi: 10.1371/journal.pone.0224271

Fig 4. Comparison between crystal and simulated structures.

Fig 4

(A) The RNase A–C5P complex from a crystal structure. The protein backbone is in cartoon representation, colored in gray. Lysines, arginines, and the ligand are given in stick representation with carbon atoms in white, nitrogens in blue, oxygens in red, and phosphorus in orange. Certain lysine and arginine residues are labeled. (B) The RNase A–C5P complex after 100 ns of production dynamics; polar contacts are shown as dotted lines. (C) The RNase A–A3P complex from a crystal structure. The protein backbone is in cartoon representation, colored in gray. Lysines, arginines, and the ligand are given in stick representation with carbon atoms in white, nitrogens in blue, oxygens in red, and phosphorus in orange. Certain lysine and arginine residues are labeled; polar contacts are shown as dotted lines. (D) The RNase A–A3P complex after 100 ns of production dynamics.