The crystal structure of Z-Gly-Aib-Gly-Aib-OtBu

Journal of Peptide Science : an Official Publication of the European Peptide Society
Renate GessmannKyriacos Petratos

Abstract

The synthetic peptide Z-Gly-Aib-Gly-Aib-OtBu was dissolved in methanol and crystallized in a mixture of ethyl acetate and petroleum ether. The crystals belong to the centrosymmetric space group P4/n that is observed less than 0.3% in the Cambridge Structural Database. The first Gly residue assumes a semi-extended conformation (φ ±62°, ψ ∓131°). The right-handed peptide folds in two consecutive β-turns of type II' and type I or an incipient 310 -helix, and the left-handed counterpart folds accordingly in the opposite configuration. In the crystal lattice, one molecule is linked to four neighbors in the ab-plane via hydrogen bonds. These bonds form a continuous network of left- and right-handed molecules. The successive ab-planes stack via apolar contacts in the c-direction. An ethyl acetate molecule is situated on and close to the fourfold axis.

References

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Citations

Jul 23, 2016·Journal of Peptide Science : an Official Publication of the European Peptide Society·Thomas DegenkolbHans Brückner
Feb 9, 2017·Acta Crystallographica. Section F, Structural Biology Communications·Renate GessmannKyriacos Petratos
Dec 4, 2015·Acta Crystallographica. Section C, Structural Chemistry·Renate GessmannKyriacos Petratos
Aug 18, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Renate GessmannKyriacos Petratos
Dec 5, 2020·Acta Crystallographica. Section C, Structural Chemistry·Renate GessmannKyriacos Petratos
Feb 19, 2021·Journal of Peptide Science : an Official Publication of the European Peptide Society·Renate GessmannKyriacos Petratos

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