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Table 1 Mg-ATP complexes of different spin and energy, ΔEtot (kcal/mol), with the reference to Mg-O(1,2,3) distances, Å; in { } are the oxygens remote from the Mg.

From: Mg spin affects adenosinetriphosphate activity

Complex spin state ΔEtot r(Mg-O1) r(Mg-O2) r(Mg-O3)
[Mg(H2O)2-(O2){O1}ATP] (T1 unstable) ≥ 39.6   ≥ 1.90  
[Mg(H2O)2-(O2){O3}ATP] T2 (unstable) ≥ 39.6   ≥ 1.90  
[Mg(H2O)2-(O2-O3)ATP] S3 (metastable) 37.8   1.95 2.04
[Mg(H2O)4-(O2-O3)ATP] S4 (stable) 34.2   2.07 2.07
[Mg(H2O)3-(O2){O1}ATP] S2 (metastable) 21.2   2.02 2.46
[Mg(H2O)4-(O2-O1)ATP] S1 (stable) 0.0 2.05 2.05  
[Mg(H2O)2-(O2)ATP] c (unstable) 42.4   1.87