Principles governing Mg, Ca, and Zn binding and selectivity in proteins

Among all naturally found metalloproteins, those containing Mg(II), Ca(II), and Zn(II) appear to be the most abundant and well studied both experimentally and theoretically. This review attempts to delineate some fundamental principles governing Mg(II), Ca(II), and Zn(II) binding and selectivity in proteins based on the body of recent computational results and experimental data. The known biological roles of Mg(II), Ca(II), and Zn(II), their coordination chemistry, and sequence motifs and/or structural characteristics of the metal-binding sites are summarized. The guidelines given will be useful in further elucidating the mechanism(s) of protein-metal recognition as well as in designing metalloproteins with new properties.