2HK7

Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution

2HK7 の概要

• エントリーDOI: 10.2210/pdb2hk7/pdb
• 関連するPDBエントリー: 1WXD 2EV9
• 分子名称: Shikimate dehydrogenase, MERCURY (II) ION (3 entities in total)
• 機能のキーワード: shikimate pathway, shikimate dehydrogenase, drug design, oxidoreductase
• 由来する生物種: Aquifex aeolicus
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 61429.83

構造登録者

Gan, J.H.,Prabakaran, P.,Gu, Y.J.,Andrykovitch, M.,Li, Y.,Liu, H.H.,Yan, H.,Ji, X. (登録日: 2006-07-03, 公開日: 2007-06-19, 最終更新日: 2023-08-30)

主引用文献

Gan, J.,Wu, Y.,Prabakaran, P.,Gu, Y.,Li, Y.,Andrykovitch, M.,Liu, H.,Gong, Y.,Yan, H.,Ji, X.
Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46:9513-9522, 2007

PubMed Abstract: The shikimate biosynthetic pathway is essential to microorganisms, plants, and parasites but absent from mammals. Therefore, shikimate dehydrogenase (SD) and other enzymes in the pathway are attractive targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs. SD catalyzes the fourth reaction in the pathway, the nicotinamide adenine dinucleotide phosphate- (NADP-) dependent reduction of 3-dehydroshikimic acid to shikimic acid (SA), as well as its reverse, by the transfer of a hydride. Previous structural studies reveal that the enzyme exists in two major conformations, an open and a closed form. For the reaction to occur, it is believed that the catalytic complex assumes the closed conformation. Nonetheless, the only structure containing both SA and NADP+ exhibits an open conformation (PDB entry 2EV9). Here, we present two crystal structures of Aquifex aeolicus SD, including a ternary complex with both SA and NADP+, which assumes the closed conformation and therefore contains a catalytically competent active site. On the basis of preexisting and novel structural and biochemical data, a catalytic mechanism is proposed.

PubMed: 17649975
DOI: 10.1021/bi602601e

実験手法

X-RAY DIFFRACTION (2.5 Å)