A combined ONIOM quantum chemical-molecular dynamics study of zinc-uracil bond breaking in yeast cytosine deaminase.
Yao L, Yan H, Cukier RI.
Yao L, et al. Among authors: yan h.
J Phys Chem B. 2006 Dec 28;110(51):26320-6. doi: 10.1021/jp064301s.
J Phys Chem B. 2006.
PMID: 17181291
A previously proposed reaction mechanism for deamination (Sklenak, S.; Yao, L. S.; Cukier, R. I.; Yan, H. G. J. Am. Chem. Soc. 2004, 126, 14879) requires breaking the bond between a catalytic zinc and the O4 of uracil in order to permit product release. ...
A previously proposed reaction mechanism for deamination (Sklenak, S.; Yao, L. S.; Cukier, R. I.; Yan, H. G. J. Am. Chem. Soc. …