Biopolym. Cell. 1987; 3(4):171-178.
Structure and Function of Biopolymers
New modification of the model-free approach to analysis of data on nuclear magnetic relaxation in proteins
1Fedotov V. D., 1Kivaeva L. S.
  1. Institute of Biology, the Kazan Branch of the Academy of Sciences of the USSR
    Kazan, USSR

Abstract

A formal approach to the analysis of data on magnetic relaxation of 13C nuclei in proteins is developed. It is based on ideology which has been used by one of the authors to study internal motions in solid polymers. According to the approach the intramolecular motions in proteins are considered as anisotropic ones and are characterized by a spectrum of the correlation times. A set of the formal microdynamic parameters such as an anisotropy parameter (a measure of spatial motion restriction), the most probable correlation time, a parameter of the correlation time distribution width is introduced to describe these motions. The causes resulting in non-exponential correlation function of local motion are discussed as well as a relation between formal parameters and microdynamic characteristics for concrete models of the motion.

References

[1] Jardetzky O, Roberts GCK. NMR in molecular biology. New York; London: Acad, press, 1981. 380 p.
[2] Debrunner PG, Frauenfelder H. Dynamics of proteins. Ann Rev Phys Chem. 1982; 33(1):283-299.
[3] Karplus M. Dynamics of proteins. Proc. 2th SUNYA conversation in the discipi. biomol. stereodynamics. New York: Adenine press, Vol. 2:211-228.
[4] Abaturov LV. Thermal movements of proteins: small-scale fluctuation and conformation substates. Mol Biol (Mosk). 1983;17(4):683-704.
[5] Abaturov LV, Lebedev IuO, Nosova NG. Dynamic structure of globular proteins: conformational rigidity and fluctuational motility. Mol Biol (Mosk). 1983;17(3):543-68.
[6] Grivtsov AG, Malenkov GG, Abaturov LV. Computer simulation of protein molecular dynamics. Mol Biol (Mosk). 1983;17(3):587-615.
[7] Abaturov LV, Burshtein EA, Ivanov VI. Equilibrium dynamics of biopolymers structure. Mol Biol (Mosk). 1983;17(3):451-454.
[8] Ribeiro AA, King K, Restivo Ch, Jardetzky O. An approach to the mapping of internal motions in proteins. Analysis of carbon-13 NMR relaxation in the bovine pancreatic trypsin inhibitor. J Amer Chem Soc. 1980; 102(12):4040-51.
[9] Lipari G, Szabo A. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity. J Amer Chem Soc. 1982; 104(17):4546-59.
[10] Lipari G, Szabo A. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results. J Amer Chem Soc. 1982; 104(17)::4559-4570.
[11] Fedotov VD. Pulsed NMR in block polymers. Dis .... Doctor. Sci. Sciences: Kazan, 1981. p. 254-273.
[12] Fedotov VD, Kivaeva LS. Characteristics and mechanisms of intramolecular motion in globular proteins according to the magnetic relaxation of 13C nuclei. Phys-Chem. properties of biopolymers in solution and cells (23-26 Sept. 1985, Pushchino.) Pushchino, 1985:106.
[13] Fedotov V. D. NMR relaxation and molecular dynamics in polymers and biopolymers. Progress in polymer spectroscopy: Proc. 7th Eur. symp. on polymer spectroscopy (15-18 Oct. 1985, Leipzig). Leipzig, 1986:262-271.
[14] Fuoss R, Kirkwood JG. Electrical Properties of Solids. VIII. Dipole Moments in Polyvinyl Chloride-Diphenyl Systems. J Amer Chem Soc. 1941; 63(2):385-94.
[15] Chernov VM, Fedotov VD. Nuclear magnetic relaxation and nature of the distribution of the correlation time of segmental movement in rubbers. Polymer Science U.S.S.R. 1981; 23(4):1042-54.
[16] Kaplan JI, Garroway AN. Homogeneous and inhomogeneous distributions of correlation times. Lineshapes for chemical exchange. J Magn Reson. 1982; 49(3):464-75.
[17] Lipari G, Szabo A, Levy RM. Protein dynamics and NMR relaxation: comparison of simulations with experiment. Nature. 1982; 300(5880):197-198.
[18] Khazanovich T.N, Mironou VD. N.M.R. line shape and spin-locking in slowly tumbling methyl groups. Mol Phys. 1985; 55(1):145-59.
[19] Woessner DE. Spin Relaxation Processes in a Two-Proton System Undergoing Anisotropic Reorientation J. Chem. Phys. 1962; 36(1):1-4.
[20] Glarum SH. Dielectric Relaxation of Isoamyl Bromide. J. Chem. Phys. 1960; 33(3):639-43.
[21] Voigt G, Kimmich R. Chain fluctuations in the amorphous regions of polyethylene as indicated in proton relaxation spectroscopy. Polymers. 1980; 21(9):1001-8.
[22] Cole KS, Cole RH. Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics. J Chem Phys. 1941; 9(4):341-351.
[23] Davidson VC, Cole RH. Dielectric Relaxation in Glycerol, Propylene Glycol, and n-Propanol. J Chem Phys. 1951; 19(12):1484-90.