Single DPC and Surrounding Molecules:
The close-up of a DPC molecule (spacefill) in the micelle
is shown in the graphic on the left. Other DPC neighbor molecules
are shown in thick wire form. The rest of the micelle is white
The DPC is in contact with 10-15 H2O's (red/white
spheres) that make favorable H-bond or ion-dipole interactions
Neighboring DPC molecules that are within 4.0 Å of each
DPC are thicker Sticks; the atoms on each that can make favorable
van der Waals interactions are colored yellow.
Note: In contrast to protein crystal structures where interior
atoms are relatively fixed. ON the other hand, the micelle interior
is highly dynamic, i.e. each lipid may have 4-8 contacting neighbor
lipids at any instant, but these partners change several times
every nanosecond on average.
Chime Credits: Dr. William McClure, Department of Biological
Sciences, Carnegie Mellon University, Pittsburgh, PA 15213
Credits: D. P. Tieleman, D. van der Spoel, H.J.C. Berendsen
(2000) "Molecular dynamics simulations of dodecyl phosphocholine
micelles at three different aggregate sizes: micellar structure
and lipid chain relaxation" J. Phys. Chem. B 104:6380-6388.
Dr. Tieleman's Project Page at the Univ.
of Calgary describes micelle structures in more detail.