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Figure 5
Interactions of the bulky 3,4-di­meth­oxy­phenyl­acetamide substrate analog in the wider substrate specificity pocket of the DA1472 variant. The edge-to-face interaction between the aromatic rings of Phe254 and the substrate analog (gray, E9I) is highlighted by dotted lines, identifying contact distances shorter than 3.8 Å (PDB entry 7qls). Also shown are the ADPR molecule and the Fe2+ ion. The interactions of the oxygen and the nitro­gen atoms of the amide moiety of the substrate analog with Fe2+ and O(Thr144), respectively, are also highlighted by dotted lines. The side chains of Phe254, Val259 and Cys362 (left of the C-terminal domain); and Val153, Val164 and Val166 (right of the N-terminal domain) line the substrate specificity pocket.

IUCrJ
Volume 10| Part 4| July 2023| Pages 437-447
ISSN: 2052-2525
https://doi.org/10.1107/S205225252300444X