共 32 条
Solution structure of α-conotoxin MI determined by 1H-NMR spectroscopy and molecular dynamics simulation with the explicit solvent water
被引:34
作者:
Gouda, H
Yamazaki, K
Hasegawa, J
Kobayashi, Y
Nishiuchi, Y
Sakakibara, S
Hirono, S
机构:
[1] Kitasato Univ, Sch Pharmaceut Sci, Minato Ku, Tokyo 108, Japan
[2] Daiichi Pharmaceut Co Ltd, Inst Dev Res, Edogawa Ku, Tokyo 134, Japan
[3] Osaka Univ, Fac Pharmaceut Sci, Osaka 565, Japan
[4] Peptide Inst Inc, Prot Res Fdn, Osaka 562, Japan
来源:
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY
|
1997年
/
1343卷
/
02期
关键词:
solution structure;
neurotoxin;
2D NMR;
molecular dynamics simulation;
acetylcholine receptor;
(Conus magus);
D O I:
10.1016/S0167-4838(97)00140-4
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
The conformation of alpha-conotoxin MI, a potent antagonist of the nicotinic acetylcholine receptor, has been investigated in aqueous solution. Two-dimensional NMR experiments and simulated annealing calculations provide the overall topology of alpha-conotoxin MI; then molecular dynamics simulation with the explicit solvent water was followed in order to obtain a more reliable solution structure. The resulting conformation indicates the presence of a 3(I0) helix and a type I beta-turn for residues Pro6-Cys8 and Gly9-Try12, respectively, and shows a significant structural similarity to that of alpha-conotoxin GI, which has biological activity similar to that of MI. The present study provides a molecular basis for the alpha-conotoxin-receptor interaction. (C) 1997 Elsevier Science B.V.
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页码:327 / 334
页数:8
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