4G5H

Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product

4G5H の概要

• エントリーDOI: 10.2210/pdb4g5h/pdb
• 関連するPDBエントリー: 3VVB 3VVC
• 分子名称: Capsular polysaccharide synthesis enzyme Cap8E, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(2R,3R,4R,6R)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate, ... (6 entities in total)
• 機能のキーワード: rossmann fold, short-chain dehydrogenase/reductase, capsular polysaccharide synthesis, oxidase, epimerase, lyase
• 由来する生物種: Staphylococcus aureus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43545.94

構造登録者

Miyafusa, T.,Caaveiro, J.M.M.,Tanaka, Y.,Tsumoto, K. (登録日: 2012-07-18, 公開日: 2013-08-28, 最終更新日: 2024-03-20)

主引用文献

Miyafusa, T.,Caaveiro, J.M.,Tanaka, Y.,Tsumoto, K.
Dynamic elements govern the catalytic activity of CapE, a capsular polysaccharide-synthesizing enzyme from Staphylococcus aureus.
Febs Lett., 587:3824-3830, 2013

PubMed Abstract: CapE is an essential enzyme for the synthesis of capsular polysaccharide (CP) of pathogenic strains of Staphylococcus aureus. Herein we demonstrate that CapE is a 5-inverting 4,6-dehydratase enzyme. However, in the absence of downstream enzymes, CapE catalyzes an additional reaction (5-back-epimerization) affording a by-product under thermodynamic control. Single-crystal X-ray crystallography was employed to identify the structure of the by-product. The structural analysis reveals a network of coordinated motions away from the active site governing the enzymatic activity of CapE. A second dynamic element (the latch) regulates the enzymatic chemoselectivity. The validity of these mechanisms was evaluated by site-directed mutagenesis.

PubMed: 24157361
DOI: 10.1016/j.febslet.2013.10.009

実験手法

X-RAY DIFFRACTION (1.88 Å)