Abstract (PDF)
Graphical Abstract: The Pseudo-Jahn-Teller-Effect governs the glutamate mutase and methylmalonate-CoA mutase preliminary step and provides insight into particular details of in vivo C-N bond cleavage reactions of the adenosylcobalamin cofactor. Multi-configurational self-consistent field (MCSCF) calculations show that the preliminary step reaction glutamate mutase and methylmalonate-CoA mutase processes occur in the absence of total energy barriers.