5IQS

WelO5 bound to Fe(II), Cl, and 2-oxoglutarate

5IQS の概要

• エントリーDOI: 10.2210/pdb5iqs/pdb
• 関連するPDBエントリー: 5IQT 5IQU 5IQV
• 分子名称: WelO5, FE (II) ION, 2-OXOGLUTARIC ACID, ... (5 entities in total)
• 機能のキーワード: metalloenzyme halogenase 2-oxoglutarate, oxidoreductase
• 由来する生物種: Hapalosiphon welwitschii UTEX B 1830
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 107302.02

構造登録者

Mitchell, A.J.,Ananth, N.,Boal, A.K. (登録日: 2016-03-11, 公開日: 2016-06-29, 最終更新日: 2024-05-22)

主引用文献

Mitchell, A.J.,Zhu, Q.,Maggiolo, A.O.,Ananth, N.R.,Hillwig, M.L.,Liu, X.,Boal, A.K.
Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12:636-640, 2016

PubMed Abstract: A 2.4-Å-resolution X-ray crystal structure of the carrier-protein-independent halogenase WelO5 in complex with its welwitindolinone precursor substrate, 12-epi-fischerindole U, reveals that the C13 chlorination target is proximal to the anticipated site of the oxo group in a presumptive cis-halo-oxo-iron(IV) (haloferryl) intermediate. Prior study of related halogenases forecasts substrate hydroxylation in this active-site configuration, but X-ray crystallographic verification of C13 halogenation in single crystals mandates that ligand dynamics must reposition the oxygen ligand to enable the observed outcome. S189A WelO5 produces a mixture of halogenation and hydroxylation products, showing that an outer-sphere hydrogen-bonding group orchestrates ligand movements to achieve a configuration that promotes halogen transfer.

PubMed: 27348090
DOI: 10.1038/nchembio.2112

実験手法

X-RAY DIFFRACTION (2 Å)