Date: Dec.1999

This structer was produced by Tep2Rotater,
and stucked by GifBuilder 0.5 (Yves Piguet, 1997)

ORTEP-III (Burnett, 1996) drawing

Packing diagram.
The moieties of nucleic acids and amino acids/peptides have been integrated to survey the probes for molecular recognition1. Peptidic nucleic acids (PNA) are one of heteropeptides showing outstanding thermostable properties. In our serious studies2,3, the nucleic bases were hybridized with amino acids to investigate the physicochemical properties in the interactions with nucleic acids. In the structures of hybrid peptides, the chirality of amino acid seems to affect such interactions and we are interesting in the structure of dipeptide cooperated in non-chiral glycine. We report the crystal structure of uracil-1-yl-(2-carboxyethyl)-glycine (U-Gly) here.

Paper: Crystal Structure of Hybrid Dipeptide, Uracil-1-yl- (2-carboxyethyl)-glycine
Mitsunobu DOI, Mariko TARUI and Toshimasa ISHIDA
Analytical Sciences, , in submission (2000)

X-Ray Data Summary
weight 241.21
space group C2/c
Cell Crystal
a 25.551(6) Ang. description needle
b 5.0472(13) Ang. colour Colorless
c 18.180(4) Ang. size (mm) 0.7x0.08x0.06
alpha 90.0 deg. Dx (g/ml) 1.567
beta 119.277(12) deg. F(000) 1008
gamma 90.0 deg. mu(CuKa) 1.117
volume 2045.1(8) Ang^3
Z 8
Diffrn measurementRefinementspace
device type Rigaku AFC5R/RU-200 Flack
decay 0.1 % parameters 155
index limit -8~h~31, -6~k~0, -22~L~21 restraints 0
theta (deg.) 3.97-72.66 R_factor_gt 0.0409
total reflections 1918 wR_factor_gt 0.1057
reflections(obs) 1721 .gt. 2sigma(I) dela rho_max 0.264 e A^3
Structure delta rho_min -0.247 e A^3
solution SHELXL-97 shift/su_maxlt.0.001
refinementSHELXL-97 Goodness of fit 1.020

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