The structural characterization of a beta-cyclodextrin monosubstituted with the peptide cyclo(L-HiS-L-Leu) is reported. This work provides an x-ray example of a covalently bound group that folds In such a way that the terminal apolar side chain is retained in the hydrophobic interior of the cone-shaped cyclodextrin cavity. 6-Deoxy-6-cycldo(L-histldyl-Lleucyl)- ig-cydodextrin crystallizes in the space group P1 with cell dimensions a = 14.728(8) A, b = 15.084(7) A, c = 18.182(10) A, a = 94.36(6), 13 = 95.81(5)0, y = 116.0S(9)°; overall isotropic agreement R = 10.6% for 5703 observed reflections (Fo > 3o). The molecular structure of two indepdent molecules wih the formula C54HN0.3W7.25H20. Each molecule ames a "sleeping swan"-like overall shape with the hydrophobic leucine side chain inserted inside the cavity of the macrocycle. The two independent units give rise to a head-to-tail dimer linked by hydrogen bonds occurring between primary and s hydroxyl groups of the two monomers. The packing of the dimers produces cavities containing water molecules. There are infinite hydroplc channels running in the crystal, which is similar to what is found in the structures of cyclic peptides.
Conformation for a beta-cyclodextrin monosubstituted with a cyclic dipeptide / Di Blasio, B.; Pavone, Vincenzo; Nastri, Flavia; Isernia, C.; Saviano, M.; Pedone, C. .; Cucinotta, V.; Impellizzeri, G.; Rizzarelli, E.; Vecchio, G.. - In: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. - ISSN 0027-8424. - STAMPA. - 89:15(1992), pp. 7218-7221.
Conformation for a beta-cyclodextrin monosubstituted with a cyclic dipeptide
PAVONE, VINCENZO;NASTRI, FLAVIA;
1992
Abstract
The structural characterization of a beta-cyclodextrin monosubstituted with the peptide cyclo(L-HiS-L-Leu) is reported. This work provides an x-ray example of a covalently bound group that folds In such a way that the terminal apolar side chain is retained in the hydrophobic interior of the cone-shaped cyclodextrin cavity. 6-Deoxy-6-cycldo(L-histldyl-Lleucyl)- ig-cydodextrin crystallizes in the space group P1 with cell dimensions a = 14.728(8) A, b = 15.084(7) A, c = 18.182(10) A, a = 94.36(6), 13 = 95.81(5)0, y = 116.0S(9)°; overall isotropic agreement R = 10.6% for 5703 observed reflections (Fo > 3o). The molecular structure of two indepdent molecules wih the formula C54HN0.3W7.25H20. Each molecule ames a "sleeping swan"-like overall shape with the hydrophobic leucine side chain inserted inside the cavity of the macrocycle. The two independent units give rise to a head-to-tail dimer linked by hydrogen bonds occurring between primary and s hydroxyl groups of the two monomers. The packing of the dimers produces cavities containing water molecules. There are infinite hydroplc channels running in the crystal, which is similar to what is found in the structures of cyclic peptides.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
