5CY0

Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of Bioactive Ts3 Toxin by Racemic Protein Crystallography

5CY0 の概要

• エントリーDOI: 10.2210/pdb5cy0/pdb
• 分子名称: Ts3 Toxin, GLYCEROL (3 entities in total)
• 機能のキーワード: racemic structure, nav ligand, central symmetric, toxin
• 由来する生物種: Tityus serrulatus (Brazilian scorpion)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7741.72

構造登録者

Dang, B.,Kubota, T.,Mandal, K.,Correa, A.M.,Bezanilla, F.,Kent, S.B. (登録日: 2015-07-29, 公開日: 2016-06-01, 最終更新日: 2023-09-27)

主引用文献

Dang, B.,Kubota, T.,Mandal, K.,Correa, A.M.,Bezanilla, F.,Kent, S.B.
Elucidation of the Covalent and Tertiary Structures of Biologically Active Ts3 Toxin.
Angew.Chem.Int.Ed.Engl., 55:8639-8642, 2016

PubMed Abstract: Ts3 is an alpha scorpion toxin from the venom of the Brazilian scorpion Tityus serrulatus. Ts3 binds to the domain IV voltage sensor of voltage-gated sodium channels (Nav ) and slows down their fast inactivation. The covalent structure of the Ts3 toxin is uncertain, and the structure of the folded protein molecule is unknown. Herein, we report the total chemical synthesis of four candidate Ts3 toxin protein molecules and the results of structure-activity studies that enabled us to establish the covalent structure of biologically active Ts3 toxin. We also report the synthesis of the mirror image form of the Ts3 protein molecule, and the use of racemic protein crystallography to determine the folded (tertiary) structure of biologically active Ts3 toxin by X-ray diffraction.

PubMed: 27244051
DOI: 10.1002/anie.201603420

実験手法

X-RAY DIFFRACTION (1.93 Å)