4KWL

Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound

4KWL の概要

• エントリーDOI: 10.2210/pdb4kwl/pdb
• 関連するPDBエントリー: 4KWJ 4KWK
• 分子名称: Cysteine dioxygenase type 1, FE (II) ION, 3-disulfanylpropanoic acid, ... (4 entities in total)
• 機能のキーワード: non-heme, mono-iron, cupin, dioxygenase, cysteine-tyrosine crosslink, oxidoreductase
• 由来する生物種: Rattus norvegicus (brown rat,rat,rats)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23252.94

構造登録者

Souness, R.J.,Wilbanks, S.M.,Jameson, G.B.,Jameson, G.N.L. (登録日: 2013-05-24, 公開日: 2013-10-23, 最終更新日: 2024-11-27)

主引用文献

Souness, R.J.,Kleffmann, T.,Tchesnokov, E.P.,Wilbanks, S.M.,Jameson, G.B.,Jameson, G.N.
Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase.
Biochemistry, 52:7606-7617, 2013

PubMed Abstract: Describing the organization of substrates and substrate analogues in the active site of cysteine dioxygenase identifies potential intermediates in this critical yet poorly understood reaction, the oxidation of cysteine to cysteine sulfinic acid. The fortuitous formation of persulfides under crystallization conditions has allowed their binding in the active site of cysteine dioxygenase to be studied. The crystal structures of cysteine persulfide and 3-mercaptopropionic acid persulfide bound to iron(II) in the active site show that binding of the persulfide occurs via the distal sulfide and, in the case of the cysteine persulfide, the amine also binds. Persulfide was detected by mass spectrometry in both the crystal and the drop, suggesting its origin is chemical rather than enzymatic. A mechanism involving the formation of the relevant disulfide from sulfide produced by hydrolysis of dithionite is proposed. In comparison, persulfenate {observed bound to cysteine dioxygenase [Simmons, C. R., et al. (2008) Biochemistry 47, 11390]} is shown through mass spectrometry to occur only in the crystal and not in the surrounding drop, suggesting that in the crystalline state the persulfenate does not lie on the reaction pathway. Stabilization of both the persulfenate and the persulfides does, however, suggest the position in which dioxygen binds during catalysis.

PubMed: 24084026
DOI: 10.1021/bi400661a

実験手法

X-RAY DIFFRACTION (1.63 Å)