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Coordination numbers for the magnesium ion in the CGMP, ATP and CGDP, ADP substates derived from radial distribution functions (see Fig. S5)
| Oxygen carrier | C(GMP, ATP) | C(GDP, ADP) |
|---|---|---|
| GMP/GDP | 1.5 | 0.5 |
| ATP/ADP | 2 | 1 |
| Protein | 1 | 2 |
| Water | 1.5 | 2.5 |
Oxygens from GMP/GDP, ATP/ADP, protein, and water in the coordination sphere of Mg2+ were taken into account up to a cutoff radius of 2.9 Å.
