Table 5. Time Averages of the Root Mean Square Deviation (Å) of the Protein Backbone Atoms (RMSDbackbone) and of the Metal-Binding Residues (RMSDmetal) of E. coli Glyoxalase for Different Metalsa.
systemb | RMSDbackbone | RMSDmetal |
---|---|---|
MnA | 0.44 ± 0.03 | 0.59 ± 0.07 |
MnB | 0.55 ± 0.05 | |
NiA | 0.45 ± 0.03 | 0.57 ± 0.06 |
NiB | 0.53 ± 0.05 | |
CoA | 0.46 ± 0.03 | 0.57 ± 0.06 |
CoB | 0.53 ± 0.05 | |
ZnA | 0.45 ± 0.03 | 0.56 ± 0.06 |
ZnB | 0.53 ± 0.05 |
RMSDs for the protein backbone have been calculated by taking into account only the atoms within 20 Å of the system center, i.e., those that are inside the solvent sphere and are not subject to any restraint.
Subscripts A and B refer to the metal centers in active sites A and B from the different monomers respectively.