4FPY

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonate

4FPY の概要

• エントリーDOI: 10.2210/pdb4fpy/pdb
• 関連するPDBエントリー: 2VW0 2VW1 2VW2 4FOQ 4FOV 4FOW 4FOY 4FP2 4FP3 4FPC 4FPE 4FPF 4FPG 4FPH 4FPJ 4FPK 4FPL 4FPO 4FQ4
• 分子名称: Sialidase B, 2-[(3-bromobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: hydrolase, intramolecular trans-sialidase, glycosidase, drug design, neuraminidase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Streptococcus pneumoniae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 78231.31

構造登録者

Brear, P. (登録日: 2012-06-23, 公開日: 2012-10-31, 最終更新日: 2024-02-28)

主引用文献

Brear, P.,Telford, J.,Taylor, G.L.,Westwood, N.J.
Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13:2374-2383, 2012

PubMed Abstract: The major human pathogen Streptococcus pneumoniae plays a key role in several disease states including septicaemia, meningitis and community-acquired pneumonia. Although vaccines against S. pneumoniae are available as prophylactics, there remains a need to identify and characterise novel chemical entities that can treat the diseases caused by this pathogen. S. pneumoniae expresses three sialidases, enzymes that cleave sialic acid from carbohydrate-based surface molecules. Two of these enzymes, NanA and NanB, have been implicated in the pathogenesis of S. pneumoniae and are considered to be validated drug targets. Here we report our studies on the synthesis and structural characterisation of novel NanB-selective inhibitors that are inspired by the β-amino-sulfonic acid family of buffers.

PubMed: 23070966
DOI: 10.1002/cbic.201200433

実験手法

X-RAY DIFFRACTION (2.18 Å)