view article
Figure 7
Predominant ligand-binding regions by docking simulations of 4-chloro­catechol (4CH, magenta), 3,5-dichlorocatechol (35D, purple), 2,3-di­hydroxybiphenyl (2HY, orange) and 1,2,4-trichloro-5-phenylbenzene (PCB29, yellow). The catechol position (CAQ, green) corresponds to the experimentally observed binding mode in the CAQ–ClCPO crystal structure and is shown for comparison. In contrast, the positions of 4CH, 35D, 2HY and PCB29 are computationally predicted docking poses. Ligands are shown as sticks, grouped into two clusters; channels are shown in mesh representation.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 82| Part 11| November 2026|
https://doi.org/10.1107/S2059798326009848