6B94

Crystal structure of Human galectin-1 in complex with Lactulose

6B94 の概要

• エントリーDOI: 10.2210/pdb6b94/pdb
• 関連するBIRD辞書のPRD_ID: PRD_900038
• 分子名称: Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose, BETA-MERCAPTOETHANOL, ... (5 entities in total)
• 機能のキーワード: galectin-1, sugar binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30802.06

構造登録者

Kishor, C.,Blanchard, H. (登録日: 2017-10-09, 公開日: 2018-10-10, 最終更新日: 2025-04-02)

主引用文献

Kishor, C.,Ross, R.L.,Blanchard, H.
Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92:1801-1808, 2018

PubMed Abstract: Galectins are carbohydrate binding proteins (lectins), which characteristically bind β-galactosides. Galectins play a role in tumour progression through involvement in proliferation, metastasis, angiogenesis, immune evasion and drug resistance. There is need for inhibitors (antagonists) that are specific for distinct galectins and that can interfere with galectin-carbohydrate interactions during cancer progression. Here, we propose that lactulose, a non-digestible galactose-fructose disaccharide, presents a novel inhibitor scaffold for design of inhibitors against galectins. Thermodynamic evaluation displays binding affinity of lactulose against the galectin-1 and galectin-3 carbohydrate recognition domain (CRD). Crystal structures of galectin-1 and galectin-3 in complex with lactulose reveal for the first time the molecular basis of the galectin-lactulose interactions. Molecular modelling was implemented to propose novel lactulose derivatives as potent anti-cancer agents.

PubMed: 29888844
DOI: 10.1111/cbdd.13348

実験手法

X-RAY DIFFRACTION (1.8 Å)