Conserved conformational hierarchy across functionally divergent glycosyltransferases of the GT-B structural superfamily as determined from microsecond molecular dynamics
C. A. Ramirez-Mondragon, M. E. Nguyen, J. Milicaj, F. J. Tucci, E. A. Taylor, Y. Y. Sham
The paper uses molecular dynamics simulations to show that conformational hierarchy in GT-B glycosyltransferases is conserved, with specific residue motions affecting substrate binding without altering catalytic efficiency.
bioRxiv · Jul 2, 2020Biophysics