1SBU

NMR structure of a peptide containing a dimetylthiazolidine : an analog of delta conotoxin EVIA loop 2

1SBU の概要

• エントリーDOI: 10.2210/pdb1sbu/pdb
• 分子名称: delta-conotoxin EVIA (1 entity in total)
• 機能のキーワード: cis leu-(dmt)thiazolidine amide bond, dimethyl-thiazolidine, vi beta turn, nmr spectroscopy, molecular dynamics simulations, toxin
• 由来する生物種: Conus ermineus (Atlantic fish-hunting cone)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 1163.41

構造登録者

Figuet, M.,Chierici, S.,Jourdan, M.,Dumy, P. (登録日: 2004-02-11, 公開日: 2004-02-24, 最終更新日: 2024-11-20)

主引用文献

Chierici, S.,Jourdan, M.,Figuet, M.,Dumy, P.
A case study of 2,2-dimethylthiazolidine as locked cis proline amide bond: synthesis, NMR and molecular modeling studies of a [small delta]-conotoxin EVIA peptide analog.
Org.Biomol.Chem., 2:2437-2441, 2004

PubMed Abstract: The delta-conotoxin EVIA from the Conus ermineus venom, a recently characterized toxin, exhibits cis-trans isomerism of the Leu12-Pro13 bond associated with the triggering of its biological activity. In this paper we use the pseudoproline concept to target the presumed bioactive cis conformation. We report the design and the synthesis of loop 2 analogs from residue 8 to 18 containing either the cis-inducing Cys(PsiMe,MePro)13 unit or the natural proline residue. NMR studies in water and molecular modeling allowed us to identify the amide bond "locked" in a cis conformation for as in the suggested bioactive form of the natural toxin.

PubMed: 15326523
DOI: 10.1039/b408325c

実験手法

SOLUTION NMR