Figure 3
Change in the Mg and ATP charge (q) as a function of the Mg-(O1-O2-O3) distance. Solid lines correspond to S states and dotted ones to T states; ellipse (c) indicates the area of a spin-separated state, [•Mg+(H2O)2-•(O2)ATP-3]; curves marked with crosses indicate the charge reduction over the transition [Mg(H2O)2-(O2,{O3})ATP] ⇒ [Mg(H2O)4-(O2-O3)ATP], see text.