2CCO

STRUCTURE OF THE CALCIUM CHANNEL BLOCKER OMEGA CONOTOXIN GVIA, NMR, 20 STRUCTURES

「1CCO」から置き換えられました

2CCO の概要

• エントリーDOI: 10.2210/pdb2cco/pdb
• 分子名称: OMEGA-CONOTOXIN GVIA (1 entity in total)
• 機能のキーワード: conotoxin, cystine knot, inhibitor cystine knot motif, calcium channel blocker, cone-shell, toxin
• 由来する生物種: Conus geographus (geography cone)
• 細胞内の位置: Secreted: P01522
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 3046.42

構造登録者

Pallaghy, P.K.,Norton, R.S. (登録日: 1998-02-13, 公開日: 1998-07-15, 最終更新日: 2022-03-09)

主引用文献

Pallaghy, P.K.,Norton, R.S.
Refined solution structure of omega-conotoxin GVIA: implications for calcium channel binding
J.Pept.Res., 53:343-351, 1999

PubMed Abstract: The polypeptide omega-conotoxin GVIA (GVIA) is an N-type calcium channel blocker from the venom of Conus geographus, a fish-hunting cone shell. Here we describe a high-resolution solution structure of this member of the 'inhibitor cystine knot' protein family. The structure, based on NMR data acquired at 600 MHz, has mean pairwise RMS differences of 0.25 +/- 0.06 and 1.07 +/- 0.14 A over the backbone heavy atoms and all heavy atoms, respectively. The solvent-accessible side chains are better defined than in previously published structures and provide an improved basis for docking GVIA with models of the calcium channel. Moreover, some side chain interactions important in GVIA folding in vitro and in stabilizing the native structure are defined clearly in the refined structure. Two qualitatively different backbone conformations in the segment from Thr11 to Asn14 persisted in the restrained simulated annealing calculations until a small number of lower bound constraints was included to prevent close contacts from occurring that did not correspond with peaks in the NOESY spectrum. It is possible that GVIA is genuinely flexible at this segment, spending a finite time in the alternative conformation, and this may influence its interaction with the calcium channel.

PubMed: 10231724
DOI: 10.1034/j.1399-3011.1999.00040.x

実験手法

SOLUTION NMR