8GU0

Crystal structure of a fungal halogenase RadH

8GU0 の概要

• エントリーDOI: 10.2210/pdb8gu0/pdb
• 分子名称: Non-heme halogenase radH, FLAVIN-ADENINE DINUCLEOTIDE, TETRAETHYLENE GLYCOL, ... (5 entities in total)
• 機能のキーワード: flavin-dependent halogenase enzyme, flavoprotein
• 由来する生物種: Floropilus chiversii
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116011.77

構造登録者

Jiang, S.M.,Brown, C.J. (登録日: 2022-09-09, 公開日: 2023-07-26, 最終更新日: 2024-05-29)

主引用文献

Peh, G.,Gunawan, G.A.,Tay, T.,Tiong, E.,Tan, L.L.,Jiang, S.,Goh, Y.L.,Ye, S.,Wong, J.,Brown, C.J.,Zhao, H.,Ang, E.L.,Wong, F.T.,Lim, Y.H.
Further Characterization of Fungal Halogenase RadH and Its Homologs.
Biomolecules, 13:-, 2023

PubMed Abstract: RadH is one of the flavin-dependent halogenases that has previously exhibited promising catalytic activity towards hydroxycoumarin, hydroxyisoquinoline, and phenolic derivatives. Here, we evaluated new functional homologs of RadH and expanded its specificities for the halogenation of non-tryptophan-derived, heterocyclic scaffolds. Our investigation revealed that RadH could effectively halogenate hydroxyquinoline and hydroxybenzothiophene. Assay optimization studies revealed the need to balance the various co-factor concentrations and where a GDHi co-factor recycling system most significantly improves the conversion and efficiency of the reaction. A crystal structure of RadH was also obtained with a resolution of 2.4 Å, and docking studies were conducted to pinpoint the binding and catalytic sites for substrates.

PubMed: 37509117
DOI: 10.3390/biom13071081

実験手法

X-RAY DIFFRACTION (2.42 Å)