6AEA

Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions

6AEA の概要

• エントリーDOI: 10.2210/pdb6aea/pdb
• 関連するPDBエントリー: 6ABN 6ABZ 6AC2 6AD5 6ADF
• 分子名称: Lysozyme C, CHLORIDE ION, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: hewl, temed, polyamine, aroma form, fibrillation, 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: 15077.52

構造登録者

Seraj, Z.,Seyedarabi, A. (登録日: 2018-08-04, 公開日: 2019-08-14, 最終更新日: 2024-11-06)

主引用文献

Seraj, Z.,Ahmadian, S.,Groves, M.R.,Seyedarabi, A.
The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15:e0232953-e0232953, 2020

PubMed Abstract: The unpleasant smell released from dead bodies, may serve as an alarm for avoiding certain behaviour or as feeding or oviposition attractants for animals. However, little is known about their effect on the structure and function of proteins. Previously, we reported that using the aroma form of TEMED (a diamine), representative of the "smell of death", could completely inhibit the fibril formation of HEWL, as an antibacterial enzyme, and a model protein for fibrillation studies. To take this further, in this study we investigated the kinetics of TEMED using a number of techniques and in particular X-ray crystallography to identify the binding site(s) of TEMED and search for hotspot(s) necessary to inhibit fibril formation of HEWL. Structural data, coupled with other experimental data reported in this study, revealed that TEMED completely inhibited fibril formation and stabilized the structure of HEWL through enhancement of the CH-Π interaction and binding to an inhibitor hotspot comprised of residues Lys33, Phe34, Glu35 and Asn37 of HEWL. Additionally, results from this study showed that the binding of TEMED increased the activity and thermal stability of HEWL, helping to improve the function of this antibacterial enzyme. In conclusion, the role of the "smell of death", as an important signal molecule affecting the activity and stability of HEWL was greatly highlighted, suggesting that aroma producing small molecules can be signals for structural and functional changes in proteins.

PubMed: 32428017
DOI: 10.1371/journal.pone.0232953

実験手法

X-RAY DIFFRACTION (1.4 Å)