Structural, spectroscopic, and reactivity models for the manganese catalases

Magnetic, electronic, and structural properties of manganese catalases were investigated using spectroscopic models and EPR. The models were used to understand the reaction pathway by which the enzyme proceeded. A modeling approach was applied to match the high-resolution data obtained for the active site of the enzyme. The first coordination sphere was accounted for by some of the simpler diamanganese ligand complexes. The second coordination sphere was accepted as being critical to tailoring properties of the metal centers. The models were not free from limitations. Not all the models were able to achieve rates of catalysis matching exhibited by the enzymes.