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Conformational analysis of pyridoxal amino acid schiff's bases
Author(s) -
Weintraub H. J. R.,
Tsai M.D.,
Byrn S. R.,
Chang C.J.,
Floss H. G.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560100714
Subject(s) - pyridoxal , cndo/2 , schiff base , chemistry , pyridoxal 5 phosphate , pyridoxal phosphate , computational chemistry , maxima and minima , amino acid , stereochemistry , molecule , enzyme , organic chemistry , biochemistry , mathematics , mathematical analysis , cofactor
Abstract The conformational properties of a series of pyridoxal amino acid Schiff's bases have been calculated. The calculations were performed using the program CAMSEQ which employs a set of empirical potential energy functions. The cndo/2 charge distributions are also given in this preliminary report. The locations of the local energy minima are consistent with Dunathan's hypothesis that the course of enzymatic reaction is related to the conformation of the pyridoxal phosphate Schiff's base. Calculated results are also in agreement with experiment.