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. 2007 Apr 16;104(17):7057–7061. doi: 10.1073/pnas.0701727104

Fig. 1.

Fig. 1.

The model system for QM/MM calculations. Carbon atoms are shown in green, oxygen atoms are in red, nitrogen atoms are in blue, magnesium atoms are in magenta, and phosphorus atoms are in dark yellow. Balls and sticks distinguish the ATP moiety, magnesium cation, two reactive water molecules, and the Arg-238–Glu-459 salt bridge. Lines show the peptide chains and water molecules.