Towards understanding phosphonoacetaldehyde hydrolase: an alternative mechanism involving proton transfer that triggers P-C bond cleavage |
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Authors: | Szefczyk Borys |
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Affiliation: | Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370, Wroclaw, Poland. |
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Abstract: | The theoretical QM/MM study of the reaction catalysed by phosphonoacetaldehyde hydrolase indicates a possible alternative mechanism of the P-C bond cleavage: as opposed to the mechanism proposed earlier and that involved formation of a covalently bound intermediate (Schiff-base), in the new mechanism, the bond breaking process is facilitated by proton transfer from catalytic lysine residue to the substrate. |
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