Fig. 5.

Lipid binding site. (A) Stereoview of the candidate palmitoyl binding groove for the first 11–12 carbons and the pocket for the last 5–4 carbons. The hexadecyl sulfonyl inhibitor is represented as a Corey–Pauling–Koltun space-filling model (C, yellow; O, red; S, green). Side chains lining the groove are shown as ball-and-stick figures (C, yellow; O, red; N, blue). The side chains making up the active site are also shown as ball-and-stick figures with the color scheme similar to that of the residues. The groove surface map is shown in green wire mesh. The residues making up the groove are labeled except for Ile-2250, which cannot be seen because it falls below the inhibitor. The initial 11–12 carbon atoms from the sulfonyl group are solvent-exposed with the 11th and 12th carbon atoms at the mouth of the pocket. (B) A different view of the groove and pocket. The arrows denote the rotations in going from the orientation of the view in A to B. This view shows that most of the fatty acyl chain of hexadecyl inhibitor is exposed to the solvent.