Atom Tunneling in the Hydroxylation Process of Taurine/$\alpha$-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations

Sonia Álvarez-Barcia, Johannes Kästner

TauD dioxygenase is one of the most studied $\alpha$-ketoglutarate dependent dioxygenases ($\alpha$KGDs), involved in several biotechnological applications. We investigated the key step in t…