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Anna Miłaczewska, Prof. Ewa Broclawik and Dr. Tomasz Borowski On the Catalytic Mechanism of (S)-2-Hydroxypropylphosphonic Acid Epoxidase (HppE): A Hybrid DFT Study Chemistry - A European Journal 19

Version of Record online: 13 NOV 2012 | DOI: 10.1002/chem.201202825

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Profiling mechanisms: The mechanism of oxidative ring closing that leads to the antibiotic fosfomycin was studied with quantum chemistry methods. For the native substrate ((S)-HPP)), the reaction involves generation of the reactive FeIV[DOUBLE BOND]O species, which is responsible for the C[BOND]H bond cleavage. For activation of the weaker C[BOND]H bond in (R)-HPP, FeIII[BOND]O2. is sufficient (see scheme).

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