4'-CyanoPLP presents better prospect for the experimental detection of elusive cyclic intermediate radical in the reaction of lysine 5,6-aminomutase

Amarendra Nath Maity; Shyue-Chu Ke

doi:10.1016/j.bbrc.2014.12.076

4'-CyanoPLP presents better prospect for the experimental detection of elusive cyclic intermediate radical in the reaction of lysine 5,6-aminomutase

Biochem Biophys Res Commun. 2015 Feb 6;457(2):161-4. doi: 10.1016/j.bbrc.2014.12.076. Epub 2014 Dec 24.

Authors

Amarendra Nath Maity¹, Shyue-Chu Ke²

Affiliations

¹ Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan.
² Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan. Electronic address: ke@mail.ndhu.edu.tw.

PMID: 25542154
DOI: 10.1016/j.bbrc.2014.12.076

Abstract

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 (14)N and (13)C of cyano group using several basis sets to help the characterization of 4'-cyanoI.

Keywords: 5′-Deoxyadenosylcobalamin; Aminomutases; DFT; EPR spectroscopy; PLP.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Cyclization
Free Radicals / chemistry
Free Radicals / metabolism*
Intramolecular Transferases / chemistry
Intramolecular Transferases / metabolism*
Models, Molecular
Pyridoxal Phosphate / analogs & derivatives
Pyridoxal Phosphate / chemistry
Pyridoxal Phosphate / metabolism*
Thermodynamics

Substances

Free Radicals
Pyridoxal Phosphate
Intramolecular Transferases
3,6-diaminohexanoate aminomutase