Skip to main content
. Author manuscript; available in PMC: 2015 Jan 8.
Published in final edited form as: J Am Chem Soc. 2013 Dec 20;136(1):137–146. doi: 10.1021/ja411366w

Figure 3. Superposition of different computational models of 9-cis-retinal in R234W.

Figure 3

The retinal model fitting the experimental X-ray density is shown in cyan balls-and-sticks. The QM/MM optimized geometry obtained for the neutral closed-shell molecule is drawn in silver licorice; the carbocation with H+ attached at C12 in orange licorice; and the optimized structure of the radical obtained by H• capture at C12 in blue licorice.