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 18
SH- and OH-group swap. The revised ligand identity is guided by the exit vector to the benzodioxole substituent and the strong electron density for the S atom. A bidentate hydrogen bond to the side chain of Arg127 is present.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

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

https://doi.org/10.1107/S2059798325006096

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