3EB9

Crystal structure of 6-phosphogluconolactonase from trypanosoma brucei complexed with citrate

3EB9 の概要

• エントリーDOI: 10.2210/pdb3eb9/pdb
• 関連するPDBエントリー: 2J0E 3E7F
• 分子名称: 6-phosphogluconolactonase, ZINC ION, CITRATE ANION, ... (4 entities in total)
• 機能のキーワード: catalytic mechanism, pentose phosphate pathway, 6-phosphogluconolactonase, trypanosoma brucei, hydrolase, zinc binding site
• 由来する生物種: Trypanosoma brucei
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57868.80

構造登録者

Poggi, L.,Delarue, M.,Duclert-Savatier, N.,Stoven, V. (登録日: 2008-08-27, 公開日: 2009-05-26, 最終更新日: 2023-08-30)

主引用文献

Duclert-Savatier, N.,Poggi, L.,Miclet, E.,Lopes, P.,Ouazzani, J.,Chevalier, N.,Nilges, M.,Delarue, M.,Stoven, V.
Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation.
J.Mol.Biol., 388:1009-1021, 2009

PubMed Abstract: Trypanosoma brucei is the causative agent of African sleeping sickness. Current work for the development of new drugs against this pathology includes evaluation of enzymes of the pentose phosphate pathway (PPP), which first requires a clear understanding of their function and mechanism of action. In this context, we focused on T. brucei 6-phosphogluconolactonase (Tb6PGL), which converts delta-6-phosphogluconolactone into 6-phosphogluconic acid in the second step of the PPP. We have determined the crystal structure of Tb6PGL in complex with two ligands, 6-phosphogluconic acid and citrate, at 2.2 A and 2.0 A resolution, respectively. We have performed molecular dynamics (MD) simulations on Tb6PGL in its empty form and in complex with delta-6-phosphogluconolactone, its natural ligand. Analysis of the structural data and MD simulations allowed us to propose a detailed enzymatic mechanism for 6PGL enzymes.

PubMed: 19345229
DOI: 10.1016/j.jmb.2009.03.063

実験手法

X-RAY DIFFRACTION (2 Å)