Interaction between Cellobiose Dehydrogenase and Lytic Polysaccharide Monooxygenase.

ABSTRACT: Lytic polysaccharide monooxygenases (LPMOs) are ubiquitous oxidoreductases, facilitating the degradation of polymeric carbohydrates in biomass. Cellobiose dehydrogenase (CDH) is a biologically relevant electron donor in this process, with the electrons resulting from cellobiose oxidation being shuttled from the CDH dehydrogenase domain to its cytochrome domain and then to the LPMO catalytic site. In this work, we investigate the interaction of four Neurospora crassa LPMOs and five CDH cytochrome domains from different species using computational methods. We used HADDOCK to perform protein-protein docking experiments on all 20 combinations and subsequently to select four complexes for extensive molecular dynamics simulations. The potential of mean force is computed for a rotation of the cyt

SUBMITTER: Laurent CVFP 

PROVIDER: S-EPMC6404106 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature