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Figure 5.
Model of y1fatc membrane association. A, for this
representation, the results from the titration with DPC (Fig. 2)
have been mapped onto a space-filled model of the structure of
oxidized y1fatc bound to DPC micelles; the color coding is the
same as in Fig. 2B. B, the top shows the lowest energy structure
of micelle-bound oxidized and reduced y1fatc with the same color
coding as in Fig. 4, A and B, and with the bonds between heavy
atoms shown in a neon representation. For the side chains of
Trp-2466 and Phe-2469 of micelle-bound oxidized y1fatc several
conformers are shown to represent the structural heterogeneity
observed in the ensemble (Fig. 4A). Below, the surface charge
distribution of both structures was visualized. Positively
charged areas are colored blue and negatively charged ones are
red. DPC with its negatively charged phosphate and its
positively charged choline group is schematically depicted to
the left. The solvent-membrane interface that has been estimated
based on the titrations with DPC and the distribution of surface
charges is indicated by a dotted black line. Views of A and B,
where the structures have been rotated by 180° around the
vertical axes are given in supplemental Fig. 10, A and B. All
structure images were made with the programs MolMol (55) and
POV-Ray. Supplemental Fig. 10C shows further structure images of
a DPC micelle (56) and oxidized micelle-bound y1fatc at the same
scale.
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