6FUU

Transcriptional regulator LmrR with bound heme

6FUU の概要

• エントリーDOI: 10.2210/pdb6fuu/pdb
• 分子名称: Transcriptional regulator PadR family, PROTOPORPHYRIN IX CONTAINING FE (3 entities in total)
• 機能のキーワード: artificial enzyme, complex, heme-based catalysis, transcriptional regulator, multi-drug resistance, dna binding protein
• 由来する生物種: Lactococcus lactis subsp. cremoris (Streptococcus cremoris)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15381.28

構造登録者

Reddem, E.R.,Thunnissen, A.M.W.H. (登録日: 2018-02-27, 公開日: 2018-05-16, 最終更新日: 2024-01-17)

主引用文献

Villarino, L.,Splan, K.E.,Reddem, E.,Alonso-Cotchico, L.,Gutierrez de Souza, C.,Lledos, A.,Marechal, J.D.,Thunnissen, A.W.H.,Roelfes, G.
An Artificial Heme Enzyme for Cyclopropanation Reactions.
Angew. Chem. Int. Ed. Engl., 57:7785-7789, 2018

PubMed Abstract: An artificial heme enzyme was created through self-assembly from hemin and the lactococcal multidrug resistance regulator (LmrR). The crystal structure shows the heme bound inside the hydrophobic pore of the protein, where it appears inaccessible for substrates. However, good catalytic activity and moderate enantioselectivity was observed in an abiological cyclopropanation reaction. We propose that the dynamic nature of the structure of the LmrR protein is key to the observed activity. This was supported by molecular dynamics simulations, which showed transient formation of opened conformations that allow the binding of substrates and the formation of pre-catalytic structures.

PubMed: 29719099
DOI: 10.1002/anie.201802946

実験手法

X-RAY DIFFRACTION (1.75 Å)