5JPR

Neutron Structure of Compound II of Ascorbate Peroxidase

5JPR の概要

• エントリーDOI: 10.2210/pdb5jpr/pdb
• 分子名称: Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, POTASSIUM ION, ... (5 entities in total)
• 機能のキーワード: heme peroxidase, intermediate, ferryle heme, compound ii, cryo-trapping, oxidoreductase
• 由来する生物種: Glycine max (Soybean)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29209.62

構造登録者

Kwon, H.,Blakeley, M.P.,Raven, E.L.,Moody, P.C.E. (登録日: 2016-05-04, 公開日: 2016-12-21, 最終更新日: 2024-05-01)

主引用文献

Kwon, H.,Basran, J.,Casadei, C.M.,Fielding, A.J.,Schrader, T.E.,Ostermann, A.,Devos, J.M.,Aller, P.,Blakeley, M.P.,Moody, P.C.,Raven, E.L.
Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme.
Nat Commun, 7:13445-13445, 2016

PubMed Abstract: Catalytic heme enzymes carry out a wide range of oxidations in biology. They have in common a mechanism that requires formation of highly oxidized ferryl intermediates. It is these ferryl intermediates that provide the catalytic engine to drive the biological activity. Unravelling the nature of the ferryl species is of fundamental and widespread importance. The essential question is whether the ferryl is best described as a Fe(IV)=O or a Fe(IV)-OH species, but previous spectroscopic and X-ray crystallographic studies have not been able to unambiguously differentiate between the two species. Here we use a different approach. We report a neutron crystal structure of the ferryl intermediate in Compound II of a heme peroxidase; the structure allows the protonation states of the ferryl heme to be directly observed. This, together with pre-steady state kinetic analyses, electron paramagnetic resonance spectroscopy and single crystal X-ray fluorescence, identifies a Fe(IV)-OH species as the reactive intermediate. The structure establishes a precedent for the formation of Fe(IV)-OH in a peroxidase.

PubMed: 27897163
DOI: 10.1038/ncomms13445

実験手法

NEUTRON DIFFRACTION (2.202 Å)
X-RAY DIFFRACTION (1.806 Å)