1.13.11.41 | 2,4'-dihydroxyacetophenone + O2 = 4-hydroxybenzoate + formate |
the cleavage mechanism of the aliphatic C-C bond catalyzed by 2,4'-dihydroxyacetophenone dioxygenase, quantum mechanics/molecular mechanics calculations. The reactant complex may firstly undergo a triplet-quintet crossing to initiate the reaction and then the subsequent chemistry mainly occurs on the quintet state surface, modeling of the enzyme-substrate complex, overview |
742232 |