|
Figure 4.
Figure 4. Representative CAP-1:CA^N structure calculated by
restrained molecular dynamics using the hybrid X-ray/NMR
approach. (a) Stereo view of the CAP-1 binding with observed
NOEs (broken black lines) and potential hydrogen bonds (broken
red lines) labeled. The side-chain of Phe32, which is displaced
from the core upon CAP-1 binding, is also shown. (b)
Electrostatic surface representation of the CAP-1 binding site
showing the insertion of the CAP-1 aromatic ring into the pocket
vacated by Phe32.
|
