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The structure of the Tdp1 active site. The Lys265, Asn283, Lys495, and Asn516 residues are involved in the binding of the substrate’s phosphate group. In the reaction mechanism, nucleophilic attack by His263 residue occurs and a proton is transferred from His493 to the leaving group. The shaded area corresponds to the QM region defined in the performed modeling of the enzyme-substrate complex.
