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Prediction of the crystal structure of a cyclic tetrapeptide

✍ Scribed by David Hall; Murray K. Wood

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
401 KB
Volume
1
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

Prediction of the known crystal structure of cyclic‐L‐Ser(O‐t‐Bu)‐β‐Ala‐Gly‐L‐β‐Asp(OMe) has been attempted by establishing the low‐energy conformations of the isolated molecule by conformational analysis, and then regarding each of these as a rigid molecule, by establishing the favorable crystal packing arrangements by molecular packing analysis. The theoretical model closest to the observed structure was one of the lowest‐energy solutions and was recognized as essentially correct by reference to the x‐ray data. The limitations of the model follow from the fact that the side chain conformations are somewhat affected by packing interactions.

📜 SIMILAR VOLUMES

Crystal structure and conformation of a
Crystal structure and conformation of a cyclic tetrapeptide cyclo(L-Pro-Sar)2 containing all-cis peptide units
✍ Katsuhiko Ueno; Toshimi Shimizu 📂 Article 📅 1983 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 419 KB 👁 1 views

## Abstract The crystal structure and conformation of the synthetic cyclic tetrapeptide, __cyclo__(L‐Pro‐Sar)~2~, was determined by x‐ray analysis. The peptide crystallizes in the orthorhombic space group __P__2~1~2~1~2~1~ with cell parameters __a__ = 9.277(1), __b__ = 12.884(1), and __c__ = 15.581