3DCQ

LECB (PA-LII) in complex with the synthetic ligand 2G0

3DCQ の概要

• エントリーDOI: 10.2210/pdb3dcq/pdb
• 関連するPDBエントリー: 1OUX 1OXC
• 分子名称: Fucose-binding lectin PA-IIL, CALCIUM ION, (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, ... (4 entities in total)
• 機能のキーワード: lectin, carbohydrate, sugar binding protein
• 由来する生物種: Pseudomonas aeruginosa
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 49434.06

構造登録者

Johansson, E.M.,Crusz, S.A.,Kolomiets, E.,Buts, L.,Kadam, R.U.,Cacciarini, M.,Bartels, K.M.,Diggle, S.P.,Camara, M.,Williams, P.,Loris, R.,Nativi, C.,Rosenau, F.,Jaeger, K.E.,Darbre, T.,Reymond, J.L. (登録日: 2008-06-04, 公開日: 2009-01-13, 最終更新日: 2023-11-01)

主引用文献

Johansson, E.M.,Crusz, S.A.,Kolomiets, E.,Buts, L.,Kadam, R.U.,Cacciarini, M.,Bartels, K.M.,Diggle, S.P.,Camara, M.,Williams, P.,Loris, R.,Nativi, C.,Rosenau, F.,Jaeger, K.E.,Darbre, T.,Reymond, J.L.
Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15:1249-1257, 2008

PubMed Abstract: The human pathogenic bacterium Pseudomonas aeruginosa produces a fucose-specific lectin, LecB, implicated in tissue attachment and the formation of biofilms. To investigate if LecB inhibition disrupts these processes, high-affinity ligands were obtained by screening two 15,536-member combinatorial libraries of multivalent fucosyl-peptide dendrimers. The most potent LecB-ligands identified were dendrimers FD2 (C-Fuc-LysProLeu)(4)(LysPheLysIle)(2)LysHisIleNH(2) (IC(50) = 0.14 microM by ELLA) and PA8 (OFuc-LysAlaAsp)(4)(LysSerGlyAla)(2)LysHisIleNH(2) (IC(50) = 0.11 microM by ELLA). Dendrimer FD2 led to complete inhibition of P. aeruginosa biofilm formation (IC(50) approximately 10 microM) and induced complete dispersion of established biofilms in the wild-type strain and in several clinical P. aeruginosa isolates. These experiments suggest that LecB inhibition by high-affinity multivalent ligands could represent a therapeutic approach against P. aeruginosa infections by inhibition of biofilm formation and dispersion of established biofilms.

PubMed: 19101469
DOI: 10.1016/j.chembiol.2008.10.009

実験手法

X-RAY DIFFRACTION (1.8 Å)