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The conformation of a small molecule in its binding site on a protein is a major factor in the specificity of the interaction between them. In this paper, we report the use of 1H and 13C NMR spectroscopy to study the fluctuations in conformation of the anti-bacterial drug trimethoprim when it is bound to its "target," dihydrofolate reductase. 13C relaxation measurements reveal dihedral angle changes of +/- 25 degrees to +/- 35 degrees on the subnanosecond time scale, while 13C line-shape analysis demonstrates dihedral angle changes of at least +/- 65 degrees on the millisecond time scale. 1H NMR shows that a specific hydrogen bond between the inhibitor and enzyme, which is believed to make an important contribution to binding, makes and breaks rapidly at room temperature.
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
December 1996,
Solid state nuclear magnetic resonance,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
October 1983,
Archives of biochemistry and biophysics,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
August 1981,
FEBS letters,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
April 1993,
Biophysical journal,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
April 1981,
FEBS letters,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
December 2001,
The Journal of biological chemistry,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
October 1994,
Biochemistry,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
January 1985,
The Journal of biological chemistry,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
September 1979,
Biochemistry,
M S Searle, and
M J Forster, and
B Birdsall, and
G C Roberts, and
J Feeney, and
H T Cheung, and
I Kompis, and
A J Geddes
February 1991,
Biochemistry,
