Acyclic peptides as conformational models. Crystal structure of Boc-Aib-Leu-Pro-NHMe ±2H<SUB>2</SUB>O
- Venkataram Prasad, B. V.
- Balaram, H.
- Balaram, P.
DOIAbstract
The tripeptide Boc-Aib-Leu-Pro-NHMe crystallizes in the orthorhombic space group P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB> with a = 9.542, b = 15.200, c = 18.256 Å and Z = 4. Each peptide is associated wth two water molecules in the asymmetric unit of the crystal. The structure has been solved by direct methods and refined to an R-value of 0.069. The peptide adopts a structure without any intramolecular hydrogen bond. The three residues occupy distinctly different regions of the Ramachandran map: Aib in the left-handed 3<SUB>10</SUB>-helical region (± = 67°, ± = 23°), Leu in the β-sheet region (± = - 133°, ± = 142°) and Pro in the poly (Pro) II region (± = - 69°, ± = 151°)...
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