Electronic structures of metal sites in proteins and models:contributions to function in blue copper proteins

摘要

Approximately one-half of all known protein crystal structures in the protein data bank (PDB) contain metal ion cofactors,which play vital roles in charge neutralization,structure,and function.These proteins range in size from 5000-10~7 Da with the metal ion corresponding to only on the order of 0.1 wt% of the molecule.Yet,for a wide range of these metal-loproteins,the metal ion and its environment are key to the chemistry as these comprise the active site in catalysis.