1-Aminocyclohexane-1-carbocylic acid incorporated endomorphin 2 analogue


Doi, M., Asano, A., Komura, E. and Ueda, Y. (2002). The structure of an endomorphin analogue incorporating 1-aminocyclohexane-1-carbocylic acid for proline is similar to the beta-turn of Leu-enkephalin.
Biochem. Biophys. Res. Commun. 297, 138-142.

Surface was calculated by MSMS and the figure was drawn by Raster3D .

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X-Ray Data Summary

formulaC34H41N5O5, HCL, 2(CH3CN), 2(H2O)
weight 754.32 lambda (A)0.71073
symmetryorthorhombic temp (K) 100
space group P212121
Cell Crystal
a (Ang) 10.2876(10)description block
b (Ang) 16.3534(15)colour colorless
c (Ang) 25.815(2) size (mm3) 0.30x0.30x0.10
alpha (deg) 90.0 Dx (g/ml) 1.154
beta (deg) 90.0 F(000) 1608
gamma (deg) 90.0 mu (mm-1) 0.139
V (Ang^3) 4343.1(7)
Z 4
Refinement Diffrn measurement
Flack 0.06(11) device typeBruker SMART APEX CCD
parameters 496 decay 0.0
restraints 1 reflections(meas)34041
R_factor_all 0.0980R(int) 0.0358
R_factor_gt 0.0923reflections(merged) 10158
wR_factor_ref0.2591reflections > 2sigma(I) 9359
wR_factor_gt 0.2548Structure
shift/su_max 0.008solution SHELXD
shift/su_mean 0.004 refinement SHELXL-97

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Date: Aug. 2002