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Biophys J, January 2001, p. 69-74, Vol. 80, No. 1
Division of Biophysics of Macromolecules, German Cancer Research Center, D-69120, Heidelberg, Germany
The Brownian Dynamics technique was used to model a
diffusion-controlled intramolecular reaction of supercoiled DNA (2500 basepairs) in 0.1 M sodium chloride solution. The distance between the
reactive groups along the DNA contour was 470 basepairs. The reaction
radius was varied from 6 to 20 nm. The results are presented in terms
of the probability distribution
PF(t) of the first collision time. The general form of the function
PF(t) could be correctly predicted by a simple analytical model of one-dimensional diffusion of
the superhelix ends along the DNA contour. The distribution PF(t) is essentially
non-exponential: within a large initial time interval, it scales as
PF(t) ~ t
1/2, which is typical for one-dimensional
diffusion. However, the mean time of the first collision is inversely
proportional to the reaction radius, as in three dimensions. A visual
inspection of the simulated conformations showed that a considerable
part of the collisions is caused by the bending of the superhelix axis in the regions of the end loops, where the axis is most flexible. This
fact explains why the distribution
PF(t) combines the features of one- and three-dimensional diffusion. The simulations were repeated
for a DNA chain with a permanent bend of 100° in the middle position
between the reactive groups along the DNA contour. The permanent bend
changes dramatically the form of the distribution PF(t) and reduces the mean
time of the first collision by approximately one order of magnitude.
Biophys J, January 2001, p. 69-74, Vol. 80, No. 1
© 2001 by the Biophysical Society 0006-3495/01/01/69/06 $2.00
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