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Figure 3
ANS interaction sites on hFABP3. (a) A cartoon representation of the hFABP3–ANS complex structure. ANS is represented as green sticks. The solvent molecules are represented as red spheres. (b) The FobsFcalc electron density omit map of ANS. ANS (green) is located in the binding cavity of hFABP3. The electron density is calculated at 2.15 Å and contoured at 2.5σ. The O, N and S atoms are shown in red, blue and yellow, respectively. (c) Principal interaction sites of hFABP3 are shown schematically. One of the ANS sulfonate O atoms forms hydrogen bonds with the hydroxyl group of Tyr128 as well as the guanidium N atom of Arg126 via water molecules. Furthermore, the rest of the O atoms form hydrogen bonds with the guanidium N atom of Arg106 via a water molecule. Hydrogen-bonding interactions are shown as green dashed lines (lengths in Å). The schematic was drawn using the program LIGPLOT.

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