[1-9-NαC]-Linusorb B3 (Cyclo-linopeptide A) dimethyl sulfoxide monosolvate

Sarah Kendra Purdy; Denis Spasyuk; Jackson Mulenga Chitanda; Martin J T Reaney

doi:10.1107/S2414314620003181

[1-9-NαC]-Linusorb B3 (Cyclo-linopeptide A) dimethyl sulfoxide monosolvate

IUCrdata. 2020 Mar 13;5(Pt 3):x200318. doi: 10.1107/S2414314620003181. eCollection 2020 Mar.

Authors

Sarah Kendra Purdy¹, Denis Spasyuk², Jackson Mulenga Chitanda¹, Martin J T Reaney^{1

3}

Affiliations

¹ Department of Plant Sciences, College of Agriculture and Bioresources, University of Saskatchewan, 51 Campus Dr., Saskatoon, Saskatchewan, S7N 5A8, Canada.
² Canadian Light Source Inc., 44 Innovation Blvd., Saskatoon, Saskatchewan, S7N 3V4, Canada.
³ Guangdong Saskatchewan Oilseed Joint Laboratory, Department of Food Science and Engineering, Jinan University, 601 Huangpu Avenue West, Guangdong, Guangzhou, 510632, People's Republic of China.

Abstract

Crystals of the dimethyl sulfoxide (DMSO) solvate of [1-9-NαC]-linusorb B3 (Cyclo-linopeptide A; CLP-A; C₅₇H₈₄N₉O₉·C₂H₆OS), a cyclic polypeptide were obtained following peptide extraction and purification from flaxseed oil. There are four intramolecular N-H⋯O hydrogen bonds. In the crystal, the mol-ecules are linked in chains along the a axis by N-H⋯O hydrogen bonds. Each DMSO O atom accepts a hydrogen bond from an NH group at the Phe⁶ location in the CLP-A mol-ecule.

Keywords: [1–9-NαC]-linusorb B3; crystal structure; cyclic peptide; cyclolinopeptide A; dimethyl sulfoxide; hydrogen bonding; orbitides.

Grants and funding

Funding for this research was provided by: Saskatchewan Agricultural Development Fund; Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; National Research Council of Canada; Canadian Institute for Health Research; Government of Saskatchewan; University of Saskatchewan.