5NBJ

DLS Tetragonal - ReHEWL

5NBJ の概要

• エントリーDOI: 10.2210/pdb5nbj/pdb
• 分子名称: Lysozyme C, RHENIUM, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: rhenium tricarbonyl, hen egg white lysozyme, radiopharmaceutical development, hydrolase
• 由来する生物種: Gallus gallus (Chicken)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 16535.30

構造登録者

Brink, A.,Helliwell, J.R. (登録日: 2017-03-02, 公開日: 2017-05-10, 最終更新日: 2024-10-23)

主引用文献

Brink, A.,Helliwell, J.R.
New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents.
IUCrJ, 4:283-290, 2017

PubMed Abstract: Multiple possibilities for the coordination of -[Re(CO)(HO)] to a protein have been determined and include binding to Asp, Glu, Arg and His amino-acid residues as well as to the C-terminal carboxylate in the vicinity of Leu and Pro. The large number of rhenium metal complex binding sites that have been identified on specific residues thereby allow increased target identification for the design of future radiopharmaceuticals. The core experimental concept involved the use of state-of-art tuneable synchrotron radiation at the Diamond Light Source to optimize the rhenium anomalous dispersion signal to a large value ('' of 12.1 electrons) at its absorption edge with a selected X-ray wavelength of 0.9763 Å. At the Cu α X-ray wavelength (1.5418 Å) the '' for rhenium is 5.9 electrons. The expected peak-height increase owing to the optimization of the Re '' was therefore 2.1. This X-ray wavelength tuning methodology thereby showed the lower occupancy rhenium binding sites as well as the occupancies of the higher occupancy rhenium binding sites.

PubMed: 28512575
DOI: 10.1107/S2052252517003475

実験手法

X-RAY DIFFRACTION (1.266 Å)