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On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases

Shalini Yadav, Sason Shaik, Kshatresh Dutta Dubey

2024Chemical Science12 citationsDOIOpen Access PDF

Abstract

non-covalent interactions. These findings provide crucial insights and a broader perspective which enables us to make a verifiable prediction: thus, the catalytic activity is not only limited to the first or second catalytic shell of an enzyme. Furthermore, it is predicted that reinstatement of tyrosine at a similar position in other members of CYP450 peroxygenases can convert these enzymes to reductase-based monooxygenases.

Topics & Concepts

MonooxygenaseReductaseChemistryComputational biologyEnzymeBiochemistryBiologyCytochrome P450Metal-Catalyzed Oxygenation MechanismsPharmacogenetics and Drug MetabolismEicosanoids and Hypertension Pharmacology
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