4NUI

Crystal structure of cobalt-bound Na-ASP-2

4NUI の概要

• エントリーDOI: 10.2210/pdb4nui/pdb
• 関連するPDBエントリー: 4NUK 4NUN 4NUO
• 分子名称: Ancylostoma secreted protein 2, COBALT (II) ION (3 entities in total)
• 機能のキーワード: scp/taps, excretory/secretory product, unknown function
• 由来する生物種: Necator americanus (Human hookworm)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22710.95

構造登録者

Hofmann, A. (登録日: 2013-12-03, 公開日: 2014-05-14, 最終更新日: 2024-11-27)

主引用文献

Mason, L.,Tribolet, L.,Simon, A.,von Gnielinski, N.,Nienaber, L.,Taylor, P.,Willis, C.,Jones, M.K.,Sternberg, P.W.,Gasser, R.B.,Loukas, A.,Hofmann, A.
Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50:146-155, 2014

PubMed Abstract: Hookworm activation-associated secreted proteins can be structurally classified into at least three different groups. The hallmark feature of Group 1 activation-associated secreted proteins is a prominent equatorial groove, which is inferred to form a ligand binding site. Furthermore, a conserved tandem histidine motif is located in the centre of the groove and believed to provide or support a yet to be determined catalytic activity. Here, we report three-dimensional crystal structures of Na-ASP-2, an L3-secreted activation-associated secreted protein from the human hookworm Necator americanus, which demonstrate transition metal binding ability of the conserved tandem histidine motif. We further identified moderate phosphohydrolase activity of recombinant Na-ASP-2, which relates to the tandem histidine motif. By panning a random 12-mer peptide phage library, we identified a peptide with high similarity to the human calcium-activated potassium channel SK3, and confirm binding of the synthetic peptide to recombinant Na-ASP-2 by differential scanning fluorimetry. Potential binding modes of the peptide to Na-ASP-2 were studied by molecular dynamics simulations which clearly identify a preferred topology of the Na-ASP-2:SK3 peptide complex.

PubMed: 24631931
DOI: 10.1016/j.biocel.2014.03.003

実験手法

X-RAY DIFFRACTION (1.7 Å)