Mutations at the putative active cavity of styrene monooxygenase: Enhanced activity and reversed enantioselectivity

► Rational design of styrene monooxygenase was performed via molecular docking. ► Three mutants with enhanced activity were identified for styrene monooxygenase. ► One mutant displayed reversed enantioselectivity toward 1-phenylcyclohexene. ► Mutants retained excellent enantioselectivity toward styrene.