Fig. 2: Complex structure of EasCCf and PCC.
From: Chanoclavine synthase operates by an NADPH-independent superoxide mechanism
a, Overall structure of the complex of EasCCf with PCC. b, The NADPH-binding pocket of EasCCf–PCC complex. c, The relative positions of haem and PCC in EasCCf–PCC complex. d, Key amino residues forming the tunnel that connects the haem pocket and NADPH-binding pocket. The channel length was about 11.6 Å, and the central channel residues are marked in orange. Residue Y343 that served as the fifth coordinated ligand of the haem iron is noted by an asterisk. e, The structure of the tunnel observed from the substrate’s perspective, indicating that EasCCf binds PCC with its C4 alkyl group orienting towards the opening of the tunnel. α4 indicates the fourth α-helix. In b,c, the density map of PCC is shown in mesh at 3.0σ contour level.