M. Doi et al., Amphipathic structure of theonellapeptolide-Id, a hydrophobic tridecapeptide lactone from the Okinawa marine sponge Theonella swinhoei, BIOPOLYMERS, 54(1), 2000, pp. 27-34
Theonellapeptolide-Id (TNLP), a cyclic tridecapeptide lactone, was crystall
ized from dimethylformamide-water solution. In the asymmetric unit, two pep
tide molecules were combined with solvent molecules, and the total molecula
r weight was over 3000 Dalton. The crystal structure including solvent mole
cules was finally determined at 0.80 Angstrom resolution using synchrotron
radiation. The conformations of two independent molecules were similar to e
ach other and were also similar to the previously reported structure (Doi.
Ishida, Kobayashi, Deschamps and Filppen-Anderson. 1999. Acta Crystallogr S
ect C, 55, 796-798). About 13 hydrated water molecules were found at disord
ered 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. (C) 2000 John Wiley Be Sons, Inc. Biopoly 54: 27-34,
2000.