Femtosecond-to-nanosecond dynamics of flavin mononucleotide monitored by stimulated Raman spectroscopy and simulations

Authors

P. C. Andrikopoulos et al., (FZU A. Picchiotti, N. Lenngren, M. Kloz, M. Přeček, M. Rebarz, J. Andreasson, J. Hajdu)

DOI
10.1039/C9CP04918E
Year
2020

Nucleotides are not only building blocks of nuclear acids such as DNA and RNA, but also serve as cofactors in various proteins. The goal of this work is deeper understanding of one particular nucleotide FMN, which is a starting point for deeper understanding of its function in organisms.

3D structure of solvated Flavin adenine mononucleotide molecule with and without stabilizing sodium atom.
Structural models of micro-solvated FMN optimised in the water polarisable continuum (PCM) with B3LYP-D/def2-TZVP. The negatively charged model 2′ with a deprotonated phosphate oxygen is shown on the left, and the Na+-balanced equivalent (2′′) is shown on the right. The dashed red lines show the intramolecular hydrogen bonding network while the black the intermolecular. Atoms are coloured as follows, C: grey, H: white, N: blue, O: red, Na: violet.

Contact person: Mgr. Miroslav Kloz, Ph.D.

Collaborating institutions:

Institute of Biotechnology  of the Czech Academy of Sciences