The crystal structure of Z-Gly-Aib-Gly-Aib-OtBu | Boulder Peptide Symposium

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

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

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. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

Thumbnail image of graphical abstract

The synthetic peptide Z-Gly-Aib-Gly-Aib-OtBu was crystallized from ethyl acetate and petroleum ether. The crystals belong to the centrosymmetric space group P4/n. The first Gly residue assumes semi-extended conformation. The right-handed peptide folds in two β-turns of type II' and I. One molecule is linked to four neighbors in the ab-plane via hydrogen bonds. These bonds form a continuous network of left-handed and right-handed molecules.


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