A high-resolution data set of fatty acid-binding protein structures. II. Crystallographic overview, ligand classes and binding pose

Ehler, A.; Benz, J.; Rudolph, M.G.

doi:10.1107/S2059798325005728

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 13
S4 is the main structural determinant for establishing isoform specificity. hFABP3, hFABP4 and hFABP5 are colored gray, green and blue, respectively. (a) Pockets with sequence and structural differences between the isoforms are labeled S1–S4 and enclosed by dashed ovals. 7fx7 is in complex with hFABP4_5, i.e. the binding site of hFABP5. The larger aliphatic side chains in S4 of hFABP3 would clash with the thiomethyl group of the ligand. (b) A similar discrimination against hFABP3 binding is apparent in 7g0a. Both alternate conformations of the ligand would clash with hFABP3 residues in S4.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 81| Part 8| August 2025| Pages 436-450

https://doi.org/10.1107/S2059798325005728

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