The role of the active site tyrosine in the mechanism of lytic polysaccharide monooxygenase.

ABSTRACT: Catalytic breakdown of polysaccharides can be achieved more efficiently by means of the enzymes lytic polysaccharide monooxygenases (LPMOs). However, the LPMO mechanism has remained controversial, preventing full exploitation of their potential. One of the controversies has centered around an active site tyrosine, present in most LPMO classes. Recent investigations have for the first time obtained direct (spectroscopic) evidence for the possibility of chemical modification of this tyrosine. However, the spectroscopic features obtained in the different investigations are remarkably different, with absorption maximum at 420 and 490 nm, respectively. In this paper we use density functional theory (DFT) in a QM/MM formulation to reconcile these (apparently) conflicting results. By modeling the

SUBMITTER: McEvoy A 

PROVIDER: S-EPMC8178957 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature