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Amphipathic structure of Theonellapeptolide‐Id, a hydrophobic tridecapeptide lactone from the Okinawa marine sponge Theonella swinhoei
Author(s) -
Doi Mitsunobu,
Ishida Toshimasa,
Kobayashi Motomasa,
Katsuya Yoshio,
Mezaki Yoshihiro,
Sasaki Masahiro,
Terashima Akira,
Taniguchi Taizo,
Tanaka Chikako
Publication year - 2000
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/(sici)1097-0282(200007)54:1<27::aid-bip30>3.0.co;2-3
Subject(s) - chemistry , molecule , solvent , lactone , dimethylformamide , stereochemistry , crystallography , crystal structure , amphiphile , resolution (logic) , organic chemistry , polymer , copolymer , artificial intelligence , computer science
Theonellapeptolide‐Id (TNLP), a cyclic tridecapeptide lactone, was crystallized from dimethylformamide‐water solution. In the asymmetric unit, two peptide molecules were combined with solvent molecules, and the total molecular weight was over 3000 Dalton. The crystal structure including solvent molecules was finally determined at 0.80 Å resolution using synchrotron radiation. The conformations of two independent molecules were similar to each other and were also similar to the previously reported structure (Doi, Ishida, Kobayashi, Deschamps and Flippen–Anderson, 1999, Acta Crystallogr Sect C, 55, 796–798). About 13 hydrated water molecules were found at disordered 19 sites; they were located at a certain region to avoid contact with aliphatic side‐chains of peptolide in the crystal. The spatial disposition of the solvent molecules and peptides subsequently caused the formation of the amphipathic layer. © 2000 John Wiley & Sons, Inc. Biopoly 54: 27–34, 2000