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Figure 3.
Figure 3. The Fab 21D8 combining site with bound hapten.
(a) Molecular surface representation of the 21D8 binding pocket
region. Hapten sulfonate groups bind in regions that are
positively charged (blue), while the naphthalene moiety is
entirely buried within an apolar pocket (gray). (b) View of the
21D8 hapten binding site showing all the hapten-contacting
residues and their molecular interactions with the hapten. The
coloring scheme is the same as for Figure 2. (c) View of the
hapten binding pocket of the unliganded 21D8 structure, showing
the side-chain conformations of the hapten-contacting residues
and the bound water molecules (red spheres). The hapten complex
structure (darker color for Fab) is overlaid to emphasize the
position of the bound hapten (semitransparent structure) and the
slight differences in the binding site conformations.
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