Structure of benzyloxycarbonyl-L-isoleucyl-L-alanyl-alpha- aminoisobutyryl-alpha-aminoisobutyrate methyl ester, Z-L-Ile-L-Ala-Aib-Aib-OMe.
C26H40N4O7, Mr = 520.6, tetragonal, P4(3)2(1)2, a = 10.433 (1), c = 54.476 (7) A, V = 5930 (1) A3, Z = 8, Dm = 1.155 (3), Dx = 1.166 Mg m-3, lambda (Cu K alpha) = 1.54178 A, mu = 0.665 mm-1, F(000) = 2240, T = 295 K, R = 0.057 for 2037 observed reflections. The tetrapeptide adopts a type II beta-turn conformation with an extremely weak 4----1 intramolecular hydrogen bond [3.479 (7) A]. The molecules are held together in the crystal by three kinds of N-H---O intermolecular hydrogen bonds.
Taga
T
T
Faculty of Pharmaceutical Sciences, Kyoto University, Japan.
Hourai
S
S
Machida
K
K
Fujita
T
T
Ichihara
T
T
D000595:Amino Acid Sequence; D000900:Anti-Bacterial Agents / Q000737:chemistry; D023181:Antimicrobial Cationic Peptides; D006863:Hydrogen-Ion Concentration; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D009842:Oligopeptides / Q000737:chemistry*; D010446:Peptide Fragments / Q000737:chemistry; D010455:Peptides / Q000737:chemistry; D011487:Protein Conformation; D014961:X-Ray Diffraction
D000900:Anti-Bacterial Agents; D023181:Antimicrobial Cationic Peptides; D009842:Oligopeptides; D010446:Peptide Fragments; D010455:Peptides; C071634:benzyloxycarbonyl-isoleucyl-alanyl-alpha-aminoisobutyryl-alpha-aminoisobutyrate methyl ester; C016160:trichopolyn