Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics

Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics

Understanding allostery in enzymes and tools to identify it offer promising alternative strategies to inhibitor development. Through a combination of equilibrium and nonequilibrium molecular dynamics simulations, we identify allosteric effects and communication pathways in two prototypical class A β...

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Bibliographic Details
Main Authors: Ioannis Galdadas, Shen Qu, Ana Sofia F Oliveira, Edgar Olehnovics, Andrew R Mack, Maria F Mojica, Pratul K Agarwal, Catherine L Tooke, Francesco Luigi Gervasio, James Spencer, Robert A Bonomo, Adrian J Mulholland, Shozeb Haider
Format: Article
Language:English
Published: eLife Sciences Publications Ltd 2021-03-01
Series:eLife
Subjects:
TEM-1
KPC-2
β-lactamase
Online Access:https://elifesciences.org/articles/66567

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