3PS1

Crystal structure of the Escherichia Coli LPXC/LPC-011 complex

3PS1 の概要

• エントリーDOI: 10.2210/pdb3ps1/pdb
• 関連するPDBエントリー: 3PS2 3PS3
• 分子名称: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ... (7 entities in total)
• 機能のキーワード: hydrolase, deacetylation, antibiotic, acyl udp-glcnac, hydroxamate, lpc-011, baab sandwich, lipid a biosynthesis, lipid a synthesis, hydrolase-antibiotic complex, hydrolase/antibiotic
• 由来する生物種: Escherichia coli IHE3034
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34431.60

構造登録者

Lee, C.-J.,Zhou, P. (登録日: 2010-11-30, 公開日: 2011-01-19, 最終更新日: 2024-02-21)

主引用文献

Liang, X.,Lee, C.J.,Chen, X.,Chung, H.S.,Zeng, D.,Raetz, C.R.,Li, Y.,Zhou, P.,Toone, E.J.
Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19:852-860, 2011

PubMed Abstract: Compounds inhibiting LpxC in the lipid A biosynthetic pathway are promising leads for novel antibiotics against multidrug-resistant Gram-negative pathogens. We report the syntheses and structural and biochemical characterizations of LpxC inhibitors based on a diphenyl-diacetylene (1,4-diphenyl-1,3-butadiyne) threonyl-hydroxamate scaffold. These studies provide a molecular interpretation for the differential antibiotic activities of compounds with a substituted distal phenyl ring as well as the absolute stereochemical requirement at the C2, but not C3, position of the threonyl group.

PubMed: 21194954
DOI: 10.1016/j.bmc.2010.12.017

実験手法

X-RAY DIFFRACTION (1.85 Å)