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(a) Overall structure of PKAc in cartoon representation. The small lobe is colored green, the large lobe is colored magenta and IP20 is colored blue. The two Mg2+ ions are represented by cyan spheres, while ATP is shown in stick representation colored by atom type. (b) A close-up view of the active site. Water molecules are represented by red spheres. Metal coordination is shown as black solid lines, whereas hydrogen bonding is represented by orange dashed lines.
