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Figure 6
Structural changes in AetF upon substrate binding. Polar contacts are shown as magenta dashed lines. (a) Superposition of empty AetF (wheat C atoms), AetF–Trp (yellow C atoms, Trp in orange C atoms) and AetF–5-Br-Trp (green C atoms, 5-Br-Trp in dark green C atoms). Only Gln500 and Asp516 substantially change their conformation. (b) Upon binding Trp (orange C atoms), Gln500 (yellow C atoms) moves towards the ligand. Upon binding 5-Br-Trp (dark green C atoms), Gln500 adopts another rotamer and its side chain flips. Asp516 moves towards 5-Br-Trp and forms polar contacts that are not present in the binding of Trp. (c) Polar contacts of Trp with Gln500. (d) Polar contacts of 5-Br-Trp with Gln500 and Asp516.

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ISSN: 2059-7983
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