Biochemical and Biophysical Research Communications, Vol.457, No.2, 161-164, 2015
4'-CyanoPLP presents better prospect for the experimental detection of elusive cyclic intermediate radical in the reaction of lysine 5,6-aminomutase
The results of our calculations suggest that the reaction of 4'-cyanoPLP with lysine 5,6-aminomutase offers better prospect for the experimental detection of elusive cyclic azacyclopropylcarbinyl radical (I), which is proposed to be a key intermediate in the reaction of pyridoxal-5'-phosphate dependent radical aminomutases. We have calculated the corresponding hyperfine coupling constants (HFCCs) for N-14 and C-13 of cyano group using several basis sets to help the characterization of 4'-cyanol. (C) 2014 Elsevier Inc. All-rights reserved.