2C27

The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA.

2C27 の概要

• エントリーDOI: 10.2210/pdb2c27/pdb
• 関連するPDBエントリー: 1OZP 1P0H
• 分子名称: MYCOTHIOL SYNTHASE, (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside, ACETYL COENZYME *A, ... (5 entities in total)
• 機能のキーワード: synthase, mycobacterium tuberculosis, mycothiol synthase, des- acetylmycothiol, acetyltransferase, gnat, gcn5 related n- acetyltransferase
• 由来する生物種: MYCOBACTERIUM TUBERCULOSIS
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35660.60

構造登録者

Vetting, M.W.,Yu, M.,Rendle, P.M.,Blanchard, J.S. (登録日: 2005-09-26, 公開日: 2005-12-01, 最終更新日: 2023-12-13)

主引用文献

Vetting, M.W.,Yu, M.,Rendle, P.M.,Blanchard, J.S.
The Substrate-Induced Conformational Change of Mycobacterium Tuberculosis Mycothiol Synthase.
J.Biol.Chem., 281:2795-2802, 2006

PubMed Abstract: The structure of the ternary complex of mycothiol synthase from Mycobacterium tuberculosis with bound desacetylmycothiol and CoA was determined to 1.8 A resolution. The structure of the acetyl-CoA-binary complex had shown an active site groove that was several times larger than its substrate. The structure of the ternary complex reveals that mycothiol synthase undergoes a large conformational change in which the two acetyltransferase domains are brought together through shared interactions with the functional groups of desacetylmycothiol, thereby decreasing the size of this large central groove. A comparison of the binary and ternary structures illustrates many of the features that promote catalysis. Desacetylmycothiol is positioned with its primary amine in close proximity and in the proper orientation for direct nucleophilic attack on the si-face of the acetyl group of acetyl-CoA. Glu-234 and Tyr-294 are positioned to act as a general base and general acid to promote acetyl transfer. In addition, this structure provides further evidence that the N-terminal acetyltransferase domain no longer has enzymatic activity and is vestigial in nature.

PubMed: 16326705
DOI: 10.1074/JBC.M510798200

実験手法

X-RAY DIFFRACTION (1.8 Å)