A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands

Ehler, A.; Bartelmus, C.; Benz, J.; Plitzko, I.; Rudolph, M.G.

doi:10.1107/S2059798325006096

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 12
Incomplete ring closure or hydrolysis. (a) 7fx2. (b) 7g0o. Omit maps are shown in both the left and right panels for clarity. The tetrahydroisoindole-1,3-dione ligands on the left do not fit the omit maps contoured at 2.5 r.m.s.d. (7fx2) or 3 r.m.s.d. (7g0o). In both cases the open form of the imide is a cyclohexene-1-carboxylic acid that favorably binds to Arg127.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 81| Part 8| August 2025| Pages 451-464

https://doi.org/10.1107/S2059798325006096

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