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Leroy E, Mikou A, Yang Y, et al. The Three-Dimensional NMR Solution Structure of α-Cobratoxin at pH 7.5 and Conformational Differences With the NMR Solution Structure at pH 3.2. J Biomol Struct Dyn. 1994;12(1):1-17doi: 10.1080/07391102.1994.10508085.
Leroy, E., Mikou, A., Yang, Y., & Guittet, E. (1994). The Three-Dimensional NMR Solution Structure of α-Cobratoxin at pH 7.5 and Conformational Differences With the NMR Solution Structure at pH 3.2. Journal of biomolecular structure & dynamics, 12(1), 1-17. https://doi.org/10.1080/07391102.1994.10508085
Leroy, Eric, et al. "The Three-Dimensional NMR Solution Structure of α-Cobratoxin at pH 7.5 and Conformational Differences With the NMR Solution Structure at pH 3.2." Journal of biomolecular structure & dynamics vol. 12,1 (1994): 1-17. doi: https://doi.org/10.1080/07391102.1994.10508085
Leroy E, Mikou A, Yang Y, Guittet E. The Three-Dimensional NMR Solution Structure of α-Cobratoxin at pH 7.5 and Conformational Differences With the NMR Solution Structure at pH 3.2. J Biomol Struct Dyn. 1994 Aug;12(1):1-17. doi: 10.1080/07391102.1994.10508085. PMID: 22671905.
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J Biomol Struct Dyn. 1994 Aug;12(1):1-17. doi: 10.1080/07391102.1994.10508085.

The Three-Dimensional NMR Solution Structure of α-Cobratoxin at pH 7.5 and Conformational Differences With the NMR Solution Structure at pH 3.2.

Journal of biomolecular structure & dynamics

Eric Leroy, Afaf Mikou, Yinshan Yang, Eric Guittet

Affiliations

  1. a Laboratoire de Résonance Magnétique Nucléaire Institut de Chimie des Substances Naturelles Centre National de la Recherche Scientifique , 91190 , Gif-sur-Yvette , France.

PMID: 22671905 DOI: 10.1080/07391102.1994.10508085

Abstract

Abstract The 3D solution structure of α-cobratoxin, a neurotoxin purified from the Naja naja siamensis snake venom, has been determined by Nuclear Magnetic Resonance spectroscopy, in conjunction with distance geometry and restrained molecular dynamics, at pH 7.5. A total of 490 distance restraints were obtained from NOE intensities and 25 φ dihedral angle restraints deduced from J- coupling data. The generated structures are well defined with root mean square deviations from a geometrical mean structure of 0.107 ± 0.036 nm for the backbone atoms and 0.128 ±0.073 nm for the side-chain atoms (considering residues 1 to 66 minus 26 to 35). A comparison between the generated structures at pH 7.5 and the mean NMR solution structure at pH 3.2 revealed that the 3D structure of α-cobratoxin is more compact at neutral pH. This major difference is mainly due to the pH-dependant conformational variations of three residues His(18), Thr(44) and Thr(59).

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