Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction

Triandafillidis, D.-P.; Parthenios, N.; Spiliopoulou, M.; Valmas, A.; Kosinas, C.; Gozzo, F.; Reinle-Schmitt, M.; Beckers, D.; Degen, T.; Pop, M.; Fitch, A.N.; Wollenhaupt, J.; Weiss, M.S.; Karavassili, F.; Margiolaki, I.

doi:10.1107/S205979832001195X

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
Crystal structure of the P2_1(ζ) polymorph of human insulin with p-coumaric acid (PDB entry 6tc2). The insulin hexamers exhibit a T₃R^f₃ molecular conformation. The monomers coloured grey and blue exhibit T and R^f conformations, respectively. Five p-coumaric acid molecules, which are numbered and shown in red, are bound to insulin. The panels show close-ups of the ligands and the corresponding polder map as an orange mesh (contour level 4σ). One ligand molecule (molecule 4) was found to interact with the zinc ion (purple) in the R^f trimer. This position is shared with 56% and 44% occupancy between the ligand molecule and a thiocyanate ion (green), respectively.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 76| Part 11| November 2020| Pages 1065-1079

https://doi.org/10.1107/S205979832001195X

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