Article
Extended Data Fig. 5 | Phylogenetic analysis of HDH. a, Sequence alignment of
AbHDH, DiHDH and DsHDH (green) with selected BLASTp hits from the cinnamyl
alcohol dehydrogenase (CAD)-like (red) and sinapyl alcohol dehydrogenase
(SAD)-like (blue) families. Catalytic Zn2+ residues are highlighted in bold (black);
structural Zn2+-binding residues are highlighted in pink; and key conserved
residues which differentiate CAD- and SAD-like ADHs are highlighted in red/blue/
green. b, Zoomed surface view of AbHDH substrate-binding pocket with bound
NADPH (orange) and hyoscyamine aldehyde (green) based on docking
simulations. c, Zoomed inverse surface (cavity) view of AbHDH active site pocket
with bound NADPH (orange) and hyoscyamine aldehyde (green) based on
docking simulations as in b. Residues W63, H74 and M124 form a tight binding
pocket for the aryl moiety of hyoscyamine aldehyde, leaving the tropine moiety
to extend out of the active site.