초록 |
The production of biodiesel has become an important strategy to address the fading petroleum reservoirs and environmental issues. Recently biological processes to produce high-value products from glycerol have drawn much attention. Glycerol dehydratase (GdHt)- dimer of an αβγ−heterotrimer (α2β2γ2), involved in the dehydration of glycerol to form 3-hydroxypropanal (3-HPA), and the intermediate can be converted into 1,3-propandiol or 3-hydroxypropionic acid. The dissociation of β subunit in purification has been circumvented through the linking of α and β subunits which interestingly increase the catalytic activity of the linked enzyme. Therefore, it is of interest to probe into the structure and dynamics properties of the linked and unlinked structures of KpGDHt using molecular dynamics simulation. The information about GDHt and the engineering method will be a valuable source to engineer GDHt to convert glycerol into valuable products. |