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. 2012 Aug 14;134(37):15357–15370. doi: 10.1021/ja304419t

Figure 5.

Figure 5

Phosphates and magnesium electron density. 2mFo-DFc electron density maps; blue contoured to 1σ and black to 2.5σ. Electron density clipped to within 2 Å of ADP β-phosphate, Mg2+ ions, and coordinating atoms or ordered waters occupying the MgI site in the ADP·1Mg structure. (Left) ADP β-phosphate coordination with Mg2+ ions. (Right) D145 coordination of Mg2+ ions (rotated 90° relative to left-side panels). (A and B) ADP·2Mg structure. (C and D) ADP·1Mg structure. (E and F) Comparison of ADP·1Mg and ADP·2Mg structures. ADP·1Mg electron density is shown, ADP·1Mg atoms are in color, and ADP·2Mg atoms are in gray. The ADP β-phosphate is rotated away from D145 in the ADP·1Mg structure relative to the ADP·2Mg structure.