1IZC

Crystal Structure Analysis of Macrophomate synthase

1IZC の概要

• エントリーDOI: 10.2210/pdb1izc/pdb
• 分子名称: macrophomate synthase intermolecular Diels-Alderase, MAGNESIUM ION, PYRUVIC ACID, ... (4 entities in total)
• 機能のキーワード: tim-barrel, pyruvate mg(ii) complex, lyase
• 由来する生物種: Macrophoma commelinae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36384.26

構造登録者

Ose, T.,Watanabe, K.,Mie, T.,Honma, M.,Watanabe, H.,Yao, M.,Oikawa, H.,Tanaka, I. (登録日: 2002-10-01, 公開日: 2003-04-01, 最終更新日: 2025-08-06)

主引用文献

Ose, T.,Watanabe, K.,Yao, M.,Honma, M.,Oikawa, H.,Tanaka, I.
Structure of macrophomate synthase.
Acta Crystallogr.,Sect.D, 60:1187-1197, 2004

PubMed Abstract: Macrophomate synthase (MPS) is an enzyme that catalyzes an extraordinarily complex conversion reaction, including two decarboxylations, two carbon-carbon bond formations and a dehydration, to form the benzoate analogue macrophomate from a 2-pyrone derivative and oxalacetate. Of these reactions, the two carbon-carbon bond formations are especially noteworthy because previous experiments have indicated that they proceed via a Diels-Alder reaction, one of the most widely used reactions in organic synthesis. The structural evidence that MPS catalyzes an intermolecular Diels-Alder reaction has been reported recently [Ose et al. (2003), Nature (London), 422, 185-189]. Interestingly, the tertiary structure as well as the quaternary structure of MPS are similar to those of 2-dehydro-3-deoxygalactarate (DDG) aldolase, a carbon-carbon bond-forming enzyme that catalyzes the reversible reaction of aldol condensation/cleavage. Here, the structure of MPS is described in detail and compared with that of DDG aldolase. Both enzymes have a (beta/alpha)(8)-barrel fold and are classified as belonging to the enolase superfamily based on their reaction strategy. The basic principles for carbon-carbon bond formation used by both MPS and DDG aldolase are the same with regard to trapping the enolate substrate and inducing subsequent reaction. The major differences in the active sites between these two enzymes are the recognition mechanisms of the second substrates, 2-pyrone and DDG, respectively.

PubMed: 15213379
DOI: 10.1107/S0907444904008881

実験手法

X-RAY DIFFRACTION (1.7 Å)