Allosteric communication in Class A β-lactamases occurs via Cooperative Coupling of Loop Dynamics
I. Galdadas, S. Qu, A. S. F. Oliveira, E. Olehnovics, A. R. Mack, M. F. Mojica, P. K. Agarwal, C. L. Tooke, F. L. Gervasio, J. Spencer, R. A. Bonomo, A. J. Mulholland, S. Haider
This study identifies allosteric communication pathways in Class A β-lactamases using molecular dynamics simulations, showing how amino acid substitutions affect enzyme activity and antibiotic resistance.
bioRxiv · Dec 30, 2020Biophysics