Format

Send to

Choose Destination
See comment in PubMed Commons below
J Am Soc Mass Spectrom. 2006 Sep;17(9):1275-81. Epub 2006 Jul 10.

Revising the proton affinity scale of the naturally occurring alpha-amino acids.

Author information

1
Department of Molecular Biophysics, German Cancer Research Center, Heidelberg, Germany.

Abstract

The proton affinities (PA) of the 20 naturally occurring alpha-amino acids (AA) have been determined computationally by means of density functional theory (DFT) and high-level G2(MP2) calculations. These theoretical PAs, together with data that have appeared since 1997 in the literature, are used to validate the most reasonable currently available PA scale for AAs (Harrison, A. G. Mass Spectrom. Rev. 1997, 16, 201-217.). Significant scatter is observed for the PAs of Ser, Asp, Phe, Asn, Met, Pro, Gln, Glu, Trp, His, Lys, and Arg, many of which have a basic side-chain functionality. Critical review of the available data leads to new consensus PAs for Asn, Gln, Met, and Arg of 222.4, 230.5, 223.7, and 250.2 kcal/mol, respectively.

PMID:
16829127
DOI:
10.1016/j.jasms.2006.05.010
[Indexed for MEDLINE]
Free full text
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Springer Icon for Elsevier Science
    Loading ...
    Support Center