5Y7T

Quaternary complex of AsqJ-Fe3+-2OG-D-cyclopeptin

5Y7T の概要

• エントリーDOI: 10.2210/pdb5y7t/pdb
• 分子名称: Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, FE (III) ION, (3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione, ... (5 entities in total)
• 機能のキーワード: octahedron, ferric, initial step, d-cyclopeptin, oxidoreductase
• 由来する生物種: Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35465.31

構造登録者

Liao, H.J. (登録日: 2017-08-18, 公開日: 2018-01-24, 最終更新日: 2024-03-27)

主引用文献

Liao, H.J.,Li, J.,Huang, J.L.,Davidson, M.,Kurnikov, I.,Lin, T.S.,Lee, J.L.,Kurnikova, M.,Guo, Y.,Chan, N.L.,Chang, W.C.
Insights into the Desaturation of Cyclopeptin and its C3 Epimer Catalyzed by a non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation.
Angew. Chem. Int. Ed. Engl., 57:1831-1835, 2018

PubMed Abstract: AsqJ, an iron(II)- and 2-oxoglutarate-dependent enzyme found in viridicatin-type alkaloid biosynthetic pathways, catalyzes sequential desaturation and epoxidation to produce cyclopenins. Crystal structures of AsqJ bound to cyclopeptin and its C3 epimer are reported. Meanwhile, a detailed mechanistic study was carried out to decipher the desaturation mechanism. These findings suggest that a pathway involving hydrogen atom abstraction at the C10 position of the substrate by a short-lived Fe -oxo species and the subsequent formation of a carbocation or a hydroxylated intermediate is preferred during AsqJ-catalyzed desaturation.

PubMed: 29314482
DOI: 10.1002/anie.201710567

実験手法

X-RAY DIFFRACTION (2.05 Å)