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The chiroptical properties of proteins. III. Adenylate kinase
Author(s) -
Snyder Robert W.,
Hooker Thomas M.
Publication year - 1982
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360210306
Subject(s) - adenylate kinase , chemistry , molecule , formalism (music) , dielectric , spectral line , computational chemistry , molecular physics , crystallography , enzyme , quantum mechanics , physics , biochemistry , organic chemistry , art , musical , visual arts
The CD spectrum of the enzyme adenylate kinase has been investigated. Theoretical calculations, based on the x‐ray crystal structure, have been carried out by means of an origin independent matrix formalism. The entire molecule was included in the calculations in the sense that essentially all electronic transitions that occur at wavelengths longer than 185 nm were included in the basis set. A linear dielectric function was utilized to evaluate the intertransition coupling potentials. The results of the theoretical calculations were in reasonable agreement with experimental CD spectra of the molecule.