Article
Examination of the reduced affinity of the thymidylate synthase G52S mutation for FdUMP by ab initio and semi-empirical studies.
Molecular medicine (Cambridge, Mass.) - 1 Mar 2001
Sapse A M, Capiaux G M, Bertino J R
Abstract excerpt
BACKGROUND: The G52S mutation in the Arg50 loop of thymidylate synthase leads to decreased binding of FdUMP. It has been suggested that the mutation affects the Arg50 residue (within the Arg50 loop) responsible for binding the phosphate of FdUMP. The binding of the methylguanidinium moiety as a model for Arg50 to a methylphosphate entity as a model for FdUMP was investigated with theoretical calculations, as well...
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