Artículos de revistas
Catalytic Activity of Human Placental Alkaline Phosphatase (PLAP):Insights from a Computational Study
Fecha
2014-11Registro en:
Catalytic Activity of Human Placental Alkaline Phosphatase (PLAP):Insights from a Computational Study; American Chemical Society; Journal of Physical Chemistry B; 118; 49; 11-2014; 14302-14313
1089-5647
1520-5207
CONICET Digital
CONICET
Autor
Borosky, Gabriela Leonor
Resumen
Alkaline phosphatases (APs) catalyze the hydrolysis and transphosphorylation of phosphate monoesters. Quantum-mechanical computational methods were employed to study the catalytic mechanism of human placental AP (PLAP). An active-site model was used, constructed on the basis of the X-ray crystal structure of the enzyme. Kinetic and thermodynamic evaluations were achieved foreach reaction step. Calculations shed light on the mechanistic differences that had been experimentally observed between aryl and alkyl phosphates, particularly regarding the rate-determining step. The functional implications of relevant residues in the active site were examined. The present theoretical study rationalizes experimental observations previously reported in the literature.