Ap. Golovanov et al., 2-DIMENSIONAL H-1-NMR STUDY OF THE SPATIAL STRUCTURE OF NEUROTOXIN-IIFROM NAJA-NAJA-OXIANA, European journal of biochemistry, 213(3), 1993, pp. 1213-1223
The spatial structure of neurotoxin II from the venom of the central A
sian cobra Naja naja oxiana was determined by two-dimensional H-1-NMR
techniques and computational analysis. Nearly complete proton resonanc
e assignments for 61 amino acid residues have been made using two-dime
nsional (2D) homonuclear total correlated spectroscopy, 2D homonuclear
double-quantum-filtered correlated spectroscopy and 2D homonuclear NO
E spectroscopy (NOESY) experiments. The cross-peak volumes in NOESY sp
ectra spin-spin coupling constants of vicinal protons NH-CalphaH and C
alphaH-CbetaH and the observation of slow deuterium exchange of amide
protons were used to define local structure and a set of constraints f
or distance geometry program DIANA. The average root-mean-square devia
tions are 5 3 pm for backbone heavy atoms and 11 8 pm for all heavy at
oms of 19 final neurotoxin II conformations. The spatial structure is
characterized by a short double-stranded (residues 1-5 and 13-17) and
a triple-stranded (residues 22-30, 33-41 and 50-54) antiparallel beta-
sheets.