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Acta Phys. Chim. Sin.  2008, Vol. 24 Issue (09): 1558-1562    DOI: 10.1016/S1872-1508(08)60064-9
Article     
Solution Structure of Conomarphin, a Novel Conopeptide Containing D-Amino Acid at pH 5
HUANG Fei-Juan, DU Wei-Hong, WANG Bao-Huai
Department of Chemistry, Renmin University of China, Beijing 100872, P. R. China; Institute of Physical Chemistry, Peking University, Beijing 100871, P. R. China
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Abstract  Conomarphin, a novel conopeptide containing D-amino acid, was identified from the venom of Conus marmoreus and classified into M-superfamily of conotoxin. In this article, we reported the 3D structure of conomarphin at pH 5 determined using 2D 1H NMR method in aqueous solution. Twenty converged structures of this peptide were obtained based on 205 distance constraints, 8 dihedral angle constraints, and 2 hydrogen bond constraints. The root mean square deviation (RMSD) values of the backbone atoms were (0.074依0.029) nm. The refined structure of conomarphin at pH 5 contained a short 310-helix at C-terminal of the peptide. It was also characterized by a loose loop centered at Ala6. Comparison of structural and electrostatic potential between conomarphin at pH 3 and pH 5 were presented. Although the solution structure of conomarphin at pH 5 shared part of the same secondary structure element with the structure of conomarphin at pH 3, it adopted a distinctive backbone conformation with the overall molecule resembling a“flexcual arm”when viewed fromthe front. Structural differences imply that this conopeptide is rather pH sensitive and its bioactivity in vivo might be related to the acidity.

Key wordsConomarphin      Conopeptide      D-Phenylalanine      NMR solution structure      pH sensitive     
Received: 08 April 2008      Published: 04 July 2008
MSC2000:  O641  
Corresponding Authors: DU Wei-Hong     E-mail: whdu@chem.ruc.edu.cn
Cite this article:

HUANG Fei-Juan, DU Wei-Hong, WANG Bao-Huai. Solution Structure of Conomarphin, a Novel Conopeptide Containing D-Amino Acid at pH 5. Acta Phys. Chim. Sin., 2008, 24(09): 1558-1562.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.1016/S1872-1508(08)60064-9     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2008/V24/I09/1558

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