4N3E

Crystal structure of Hyp-1, a St John's wort PR-10 protein, in complex with 8-anilino-1-naphthalene sulfonate (ANS)

4N3E の概要

• エントリーDOI: 10.2210/pdb4n3e/pdb
• 関連するPDBエントリー: 1BV1 1FM4 1ICX 1IFV 1XDF 2FLH 2QIM 3E85 3IE5 3US7 4A80 4A81 4A83 4A85 4A86 4A87 4A8U 4A8V 4GY9 4JHG
• 分子名称: Phenolic oxidative coupling protein, 8-ANILINO-1-NAPHTHALENE SULFONATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
• 機能のキーワード: plant hormone binding, phytohormone binding, cytokinin, plant defense, pathogenesis-related protein, pr-10 protein, hypericin, depression, pr-10 fold, hydrophobic cavity, glycine-rich loop, ans displacement assay (ada), commensurately modulated superstructure, tetartohedral twinning, plant protein
• 由来する生物種: Hypericum perforatum (St. John's wort)
• タンパク質・核酸の鎖数: 28
• 化学式量合計: 545269.47

構造登録者

Sliwiak, J.,Dauter, Z.,Mccoy, A.J.,Read, R.J.,Jaskolski, M. (登録日: 2013-10-07, 公開日: 2014-02-26, 最終更新日: 2023-09-20)

主引用文献

Sliwiak, J.,Jaskolski, M.,Dauter, Z.,McCoy, A.J.,Read, R.J.
Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry.
Acta Crystallogr.,Sect.D, 70:471-480, 2014

PubMed Abstract: Translational noncrystallographic symmetry (tNCS) is a pathology of protein crystals in which multiple copies of a molecule or assembly are found in similar orientations. Structure solution is problematic because this breaks the assumptions used in current likelihood-based methods. To cope with such cases, new likelihood approaches have been developed and implemented in Phaser to account for the statistical effects of tNCS in molecular replacement. Using these new approaches, it was possible to solve the crystal structure of a protein exhibiting an extreme form of this pathology with seven tetrameric assemblies arrayed along the c axis. To resolve space-group ambiguities caused by tetartohedral twinning, the structure was initially solved by placing 56 copies of the monomer in space group P1 and using the symmetry of the solution to define the true space group, C2. The resulting structure of Hyp-1, a pathogenesis-related class 10 (PR-10) protein from the medicinal herb St John's wort, reveals the binding modes of the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS), providing insight into the function of the protein in binding or storing hydrophobic ligands.

PubMed: 24531481
DOI: 10.1107/S1399004713030319

実験手法

X-RAY DIFFRACTION (2.43 Å)