V. Nagarajan et al., CRYSTAL-STRUCTURES OF HETEROCHIRAL PEPTIDES .2. TERT-BOC-VALYL-D-ALANYL-LEUCYL-ALANYL METHOXIDE, The journal of peptide research, 49(1), 1997, pp. 74-79
Crystal structure of a heterochiral peptide, viz. Bac-Val(1)-D-Ala(2)-
Leu(3)-Ala(4)-OMe with a D chiral residue in the second position of a
sequence, has been determined [a = 40.44(1), b = 4.887(5), c = 15.381(
5) Angstrom, beta = 109.6(1)degrees, space group C2, Z = 4, R = 0.11].
The peptide is in a parallel beta-sheet structure terminated by a dis
tinct local bend. The structure is stabilised by N-H ... O as well as
C-alpha-N ... O hydrogen bonds,The contiguous C-alpha-H ... O hydrogen
bond observed in this structure is an unique observation. (C) Munksga
ard 1997.