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Total binding site charge, as determined by the FF charge17 of each coordinating oxygen. Oxygen counts and binding site volume from the radial distribution function (RDF) plots are also given. Protein oxygen counts were verified by visual inspection in VMD.
| CD/Ca | CD/Mg | EF/Ca | EF/Mg | |
|---|---|---|---|---|
|
| ||||
| RDF count | 6.5 | 5 | 6 | 4 |
| Binding site vol (cubic nm) | 0.6 | 0.5 | 0.5 | 0.5 |
| total negative charge | 4.9 | 4.1 | 5.5 | 3.2 |
