1KFH

Solution Structure of alpha-Bungarotoxin by NMR Spectroscopy

1KFH の概要

• エントリーDOI: 10.2210/pdb1kfh/pdb
• 関連するPDBエントリー: 1KC4
• 分子名称: alpha-Bungarotoxin (1 entity in total)
• 機能のキーワード: alpha-bungarotoxin, long snake neurotoxin, toxin
• 由来する生物種: Bungarus multicinctus (many-banded krait)
• 細胞内の位置: Secreted: P60615
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 8005.28

構造登録者

Moise, L.,Piserchio, A.,Basus, V.J.,Hawrot, E. (登録日: 2001-11-20, 公開日: 2002-04-17, 最終更新日: 2024-11-20)

主引用文献

Moise, L.,Piserchio, A.,Basus, V.J.,Hawrot, E.
NMR structural analysis of alpha-bungarotoxin and its complex with the principal alpha-neurotoxin-binding sequence on the alpha 7 subunit of a neuronal nicotinic acetylcholine receptor.
J.Biol.Chem., 277:12406-12417, 2002

PubMed Abstract: We report a new, higher resolution NMR structure of alpha-bungarotoxin that defines the structure-determining disulfide core and beta-sheet regions. We further report the NMR structure of the stoichiometric complex formed between alpha-bungarotoxin and a recombinantly expressed 19-mer peptide ((178)IPGKRTESFYECCKEPYPD(196)) derived from the alpha7 subunit of the chick neuronal nicotinic acetylcholine receptor. A comparison of these two structures reveals binding-induced stabilization of the flexible tip of finger II in alpha-bungarotoxin. The conformational rearrangements in the toxin create an extensive binding surface involving both sides of the alpha7 19-mer hairpin-like structure. At the contact zone, Ala(7), Ser(9), and Ile(11) in finger I and Arg(36), Lys(38), Val(39), and Val(40) in finger II of alpha-bungarotoxin interface with Phe(186), Tyr(187), Glu(188), and Tyr(194) in the alpha7 19-mer underscoring the importance of receptor aromatic residues as critical neurotoxin-binding determinants. Superimposing the structure of the complex onto that of the acetylcholine-binding protein (1I9B), a soluble homologue of the extracellular domain of the alpha7 receptor, places alpha-bungarotoxin at the peripheral surface of the inter-subunit interface occluding the agonist-binding site. The disulfide-rich core of alpha-bungarotoxin is suggested to be tilted in the direction of the membrane surface with finger II extending into the proposed ligand-binding cavity.

PubMed: 11790782
DOI: 10.1074/jbc.M110320200

実験手法

SOLUTION NMR