7ZN6

Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus

7ZN6 の概要

• エントリーDOI: 10.2210/pdb7zn6/pdb
• 分子名称: Laccase-like multicopper oxidase 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total)
• 機能のキーワード: oxidoreductase
• 由来する生物種: Thermothelomyces thermophilus ATCC 42464
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 74239.10

構造登録者

Kosinas, C.,Dimarogona, M.,Zerva, A.,Topakas, E. (登録日: 2022-04-20, 公開日: 2023-06-28, 最終更新日: 2024-10-23)

主引用文献

Kosinas, C.,Zerva, A.,Topakas, E.,Dimarogona, M.
Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role.
Acta Crystallogr D Struct Biol, 79:641-654, 2023

PubMed Abstract: Multicopper oxidases are promiscuous biocatalysts with great potential for the production of industrial compounds. This study is focused on the elucidation of the structure-function determinants of a novel laccase-like multicopper oxidase from the thermophilic fungus Thermothelomyces thermophila (TtLMCO1), which is capable of oxidizing both ascorbic acid and phenolic compounds and thus is functionally categorized between the ascorbate oxidases and fungal ascomycete laccases (asco-laccases). The crystal structure of TtLMCO1, determined using an AlphaFold2 model due to a lack of experimentally determined structures of close homologues, revealed a three-domain laccase with two copper sites, lacking the C-terminal plug observed in other asco-laccases. Analysis of solvent tunnels highlighted the amino acids that are crucial for proton transfer into the trinuclear copper site. Docking simulations showed that the ability of TtLMCO1 to oxidize ortho-substituted phenols stems from the movement of two polar amino acids at the hydrophilic side of the substrate-binding region, providing structural evidence for the promiscuity of this enzyme.

PubMed: 37326583
DOI: 10.1107/S2059798323004175

実験手法

X-RAY DIFFRACTION (1.9 Å)