DFT studies of the copper active site in AA13 polysaccharide monooxygenases

Abstract

AA13 polysaccharide monooxygenases (AA13 PMOs) are novel enzymes that break down starch using a copper active site in a substrate binding groove on a solvent-exposed surface. The structure of the copper active site is influenced by the residues in the groove, while the crystal structure of Cu(II)-AA13 was damaged by photoreduction and lacked two exogenous ligands...