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Dr. Tiziana Marino, Prof. Nino Russo and Prof. Marirosa Toscano Catalytic Mechanism of the Arylsulfatase Promiscuous Enzyme from Pseudomonas Aeruginosa Chemistry - A European Journal 19

Version of Record online: 28 DEC 2012 | DOI: 10.1002/chem.201201943

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A quantum-mechanical method based on DFT was used to investigate the catalytic mechanism of the hydrolysis of the two substrates p-nitrophenyl- sulfate (PNPS) and p-nitrophenyl-phosphate (PNPP) by the promiscuous enzyme (see scheme). Calculations were carried out with the aim of highlighting eventual mechanistic differences in the catalysis of these two substrates that can validate the comparable kinetics experimentally observed.

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