Normal mode analysis and comparative study of intrinsic dynamics of
alcohol oxidase enzymes from GMC family
Abstract
Glucose-Methanol-Choline (GMC) family enzymes are very important in
catalyzing the oxidation of a wide range of structurally diverse
substrates. Enzymes that constitute the GMC family, share a common
tertiary fold but < 25% sequence identity. Cofactor FAD, FAD
binding signature motif, and similar structural scaffold of the active
site are common features of oxidoreductase enzymes of the GMC family.
Protein functionality mainly depends on protein three-dimensional
structures and dynamics. In this study, we used the normal mode analysis
method to search the intrinsic dynamics of GMC family enzymes. We have
explored the dynamical behavior of enzymes with unique substrate
catabolism and active site characteristics from different classes of the
GMC family. Analysis of individual enzymes and comparative ensemble
analysis of enzymes from different classes has shown conserved dynamic
motion at FAD binding sites. The present study revealed that GMC enzymes
share a strong dynamic similarity (Bhattacharyya coefficient
>90% and root mean squared inner product
>52%) despite low sequence identity across the GMC family
enzymes. The study predicts that local deformation energy between atoms
of the enzyme may be responsible for the catalysis of different
substrates. This study may help that intrinsic dynamics can be used to
make meaningful classifications of proteins or enzymes from different
organisms.