Structural basis of regioselective double halogenation of the β-carboline tryptoline by the single-component halogenase AetF

Bork, S.; Horstmeier, H.J.; Scharkowski, B.; Niemann, H.H.

doi:10.1107/S2059798326005954

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 6
(a) Initial mF_o − DF_c (green mesh, +3σ) and (b) final 2mF_o − DF_c density (blue mesh, 1.5σ) of 8-bromotryptoline (pale green C atoms) in chain A. Anomalous difference density is shown as as a cyan mesh (5σ). (c) Superposition of AetF–8-bromotryptoline (chain A) and AetF–tryptoline (chain A, yellow C atoms). Polar contacts of 8-bromotryptoline with Leu215 and Met216 are shown as magenta dotted lines. (d) Superposition of AetF–8-bromotryptoline (chain A) and AetF–5-Br-Trp (chain A, green C atoms). (e) Superposition of AetF–8-bromotryptoline (chain A) and AetF–7-Br-Trp (chain A, green C atoms). Selected side chains of the AetF–8-bromotryptoline structure are shown as sticks with orange C atoms in (c), (d) and (e).

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 82| Part 7| July 2026| Pages 836-844

https://doi.org/10.1107/S2059798326005954

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