How are coordinated solvent molecules distinguished from the other solvent molecules in the coordinate list, for example (Mg+6H2O)?
A. A magnesium ion coordinated with waters is treated differently from a non-coordinated magnesium ion. For example, the residue name for a magnesium ion coordinated with six waters is MO6. These waters are not further included in the list of solvent coordinates. Example: From PDB 1D57: In this example, the metal hydrate ligand interacts with two strands of DNA (chains A and B) and it is not assigned a chain ID.
