1OMC

SOLUTION STRUCTURE OF OMEGA-CONOTOXIN GVIA USING 2-D NMR SPECTROSCOPY AND RELAXATION MATRIX ANALYSIS

1OMC の概要

• エントリーDOI: 10.2210/pdb1omc/pdb
• 分子名称: OMEGA-CONOTOXIN GVIA (1 entity in total)
• 機能のキーワード: presynaptic neurotoxin
• 由来する生物種: Conus geographus (geography cone)
• 細胞内の位置: Secreted: P01522
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 3046.42

構造登録者

Davis, J.H.,Bradley, E.K.,Miljanich, G.P.,Nadasdi, L.,Ramachandran, J.,Basus, V.J. (登録日: 1993-04-28, 公開日: 1994-01-31, 最終更新日: 2025-03-26)

主引用文献

Davis, J.H.,Bradley, E.K.,Miljanich, G.P.,Nadasdi, L.,Ramachandran, J.,Basus, V.J.
Solution structure of omega-conotoxin GVIA using 2-D NMR spectroscopy and relaxation matrix analysis.
Biochemistry, 32:7396-7405, 1993

PubMed Abstract: We report here the solution structure of omega-conotoxin GVIA, a peptide antagonist of the N-type neuronal voltage-sensitive calcium channel. The structure was determined using two-dimensional NMR in combination with distance geometry and restrained molecular dynamics. The full relaxation matrix analysis program MARDIGRAS was used to generate maximum and minimum distance restraints from the crosspeak intensities in NOESY spectra. The 187 restraints obtained were used in conjunction with 23 angle restraints from vicinal coupling constants as input for the structure calculations. The backbones of the best 21 structures match with an average pairwise RMSD of 0.58 A. The structures contain a short segment of triple-stranded beta-sheet involving residues 6-8, 18-21, and 24-27, making this the smallest published peptide structure to contain a triple-stranded beta-sheet. Conotoxins have been shown to be effective neuroprotective agents in animal models of brain ischemia. Our results should aid in the design of novel nonpeptide compounds with potential therapeutic utility.

PubMed: 8338837
DOI: 10.1021/bi00080a009

実験手法

SOLUTION NMR