Co+–H interaction inspired alternate coordination geometries of biologically important cob(I)alamin : possible structural and mechanistic consequences for methyltransferases

A detailed computational analysis employing density functional theory (DFT), atoms in molecules, and quantum mechanics/molecular mechanics (QM/MM) tools has been performed to investigate the primary coordination environment of cob(I)alamin (Co+Cbx), which is a ubiquitous B12 intermediate in methyltr...

Full description

Saved in:
Bibliographic Details
Main Authors: Kumar, Manoj, Hirao, Hajime, Kozlowski, Pawel M.
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
Subjects:
Online Access:https://hdl.handle.net/10356/105016
http://hdl.handle.net/10220/17520
http://dx.doi.org/10.1007/s00775-012-0924-x
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: Nanyang Technological University
Language: English