title: Towards understanding phosphonoacetaldehyde hydrolase: an alternative mechanism involving proton transfer that triggers P-C bond cleavage.
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.
authors.affiliation: Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370, Wroclaw, Poland. borys.szefczyk@pwr.wroc.pl
authors.forename: Borys
authors.initials: B
authors.lastname: Szefczyk
mesh_terms: D006867:Hydrolases / Q000737:chemistry*; D008958:Models, Molecular; D011522:Protons
chemical_list: D011522:Protons; D006867:Hydrolases; C023920:phosphonoacetaldehyde hydrolase