An empirical relationship between rotational correlation time and solvent accessible surface area |
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Authors: | VV Krishnan and Monique Cosman |
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Institution: | (1) Biology and Biotechnology Research Program, L-452 Lawrence Livermore National Laboratory, Livermore, CA, 94551, U.S.A. |
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Abstract: | Structure–dynamics interrelationships are important in understanding protein function. We have explored the empirical relationship between rotational correlation times ( c and the solvent accessible surface areas (SASA) of 75 proteins with known structures. The theoretical correlation between SASA and c through the equation SASA = Kr c
(2/3) is also considered. SASA was determined from the structure, c
calc was determined from diffusion tensor calculations, and c
expt was determined from NMR backbone13 C or 15N relaxation rate measurements. The theoretical and experimental values of c correlate with SASA with regression analyses values of Kr as 1696 and 1896 m2s-(2/3), respectively, and with corresponding correlation coefficients of 0.92 and 0.70. |
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Keywords: | rotational correlation time solvent accessible surface area structure and dynamics |
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