5I26

Azurin T30R1, crystal form I

5I26 の概要

• エントリーDOI: 10.2210/pdb5i26/pdb
• 分子名称: Azurin, COPPER (II) ION (3 entities in total)
• 機能のキーワード: blue copper protein, spin label, metal binding protein
• 由来する生物種: Pseudomonas aeruginosa
• 細胞内の位置: Periplasm: P00282
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 56846.65

構造登録者

Hagelueken, G. (登録日: 2016-02-08, 公開日: 2016-04-13, 最終更新日: 2024-01-10)

主引用文献

Abdullin, D.,Hagelueken, G.,Schiemann, O.
Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18:10428-10437, 2016

PubMed Abstract: Pulsed electron-electron double resonance (PELDOR or DEER) in combination with site-directed spin labelling has emerged as an important method for measuring nanometer distance constraints that are used to obtain coarse-grained structures of biomolecules or to follow their conformational changes. Translating measured spin-spin distances between spin labels into structural information requires taking the conformational flexibility of spin label side chains into account. Here, we present an analysis of orientation selective PELDOR data recorded on six singly MTSSL-labelled azurin mutants. The analysis yielded conformational MTSSL ensembles, which are considerably narrower than those predicted using in silico spin labeling methods but match well with spin label conformations found in the corresponding crystal structures. The possible reasons and consequences for predicting spin label conformers in the fold of biomolecules are discussed.

PubMed: 27029516
DOI: 10.1039/c6cp01307d

実験手法

X-RAY DIFFRACTION (1.888 Å)