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Cyclo-linopeptide B methanol tris-olvate.

ABSTRACT: The title compound, C(56)H(83)N(9)O(9)S·3CH(3)OH, is a methanol tris-olvate of the cyclo-linopeptide cyclo(Met(1)-Leu(2)-Ile(3)-Pro(4)-Pro(5)-Phe(6)-Phe(7)-Val(8)-Ile(9)) (henceforth referred to as CLP-B), which was isolated from flaxseed oil. All the amino acid residues are in an l-configuration based on the CORN rule. The cyclic nona-peptide exhibits eight trans peptide bonds and one cis peptide bond observed between the two proline residues. The conformation is stabilized by an α-turn and two consecutive β-turns each containing a N-H⋯O hydrogen bond between the carbonyl group O atom of the first residue and the amide group H atom of the fourth (α-turn) or the third residue (β-turns), repectively. In the crystal, the components of the structure are linked by N-H⋯O and O-H⋯O hydrogen bonds into chains parallel to the a axis.

SUBMITTER: Schatte G

PROVIDER: S-EPMC3254409 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Cyclo-linopeptide B methanol tris-olvate.

Schatte Gabriele G Labiuk Shaunivan S Li Bonnie B Burnett Peta-Gaye PG Reaney Martin M Grochulski Pawel P Fodje Michel M Yang Jian J Sammynaiken Ramaswami R

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

The title compound, C(56)H(83)N(9)O(9)S·3CH(3)OH, is a methanol tris-olvate of the cyclo-linopeptide cyclo(Met(1)-Leu(2)-Ile(3)-Pro(4)-Pro(5)-Phe(6)-Phe(7)-Val(8)-Ile(9)) (henceforth referred to as CLP-B), which was isolated from flaxseed oil. All the amino acid residues are in an l-configuration based on the CORN rule. The cyclic nona-peptide exhibits eight trans peptide bonds and one cis peptide bond observed between the two proline residues. The conformation is stabilized by an α-turn and two ...[more]

PMID: 22259553

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