Phosphate transfer from inositol pyrophosphates InsP(5)PP and InsP(4)(PP)(2): A semi-empirical investigation

A novel phosphate transfer process involving the non-enzymatic transfer of a phosphate group from inositol pyrophosphates to serine residues in proteins has been recently reported. Semi-empirical calculations at the PM3/SM5.2 level were undertaken to explore the effect of inositol pyrophosphate structure and overall charge on the thermodynamics of this phosphate transfer. (c) 2006 Elsevier Ltd. All rights reserved.