7BE3

Human Galectin-3 in complex with LacdiNAc

7BE3 の概要

• エントリーDOI: 10.2210/pdb7be3/pdb
• 分子名称: Galectin-3, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: galectin-3, lacdinac, ldn, glycan, lectin, immune, sugar binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 16287.08

構造登録者

Trovao, F.,Carvalho, A.L. (登録日: 2020-12-22, 公開日: 2021-04-21, 最終更新日: 2024-01-31)

主引用文献

Lima, C.D.L.,Coelho, H.,Gimeno, A.,Trovao, F.,Diniz, A.,Dias, J.S.,Jimenez-Barbero, J.,Corzana, F.,Carvalho, A.L.,Cabrita, E.J.,Marcelo, F.
Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27:7951-7958, 2021

PubMed Abstract: Interactions of glycan-specific epitopes to human lectin receptors represent novel immune checkpoints for investigating cancer and infection diseases. By employing a multidisciplinary approach that combines isothermal titration calorimetry, NMR spectroscopy, molecular dynamics simulations, and X-ray crystallography, we investigated the molecular determinants that govern the recognition of the tumour and pathogenic glycobiomarker LacdiNAc (GalNAcβ1-4GlcNAc, LDN), including their comparison with the ubiquitous LacNAc epitope (Galβ1-4GlcNAc, LN), by two human immune-related lectins, galectin-3 (hGal-3) and the macrophage galactose C-type lectin (hMGL). A different mechanism of binding and interactions was observed for the hGal-3/LDN and hMGL/LDN complexes, which explains the remarkable difference in the binding specificity of LDN and LN by these two lectins. The new structural clues reported herein are fundamental for the chemical design of mimetics targeting hGal-3/hMGL recognition process.

PubMed: 33826192
DOI: 10.1002/chem.202100800

実験手法

X-RAY DIFFRACTION (1.25 Å)