3ZXE

Crystal structure of Human Galectin-7 in complex with a galactose- benzylphosphate inhibitor

3ZXE の概要

• エントリーDOI: 10.2210/pdb3zxe/pdb
• 関連するPDBエントリー: 1BKZ 2GAL 3GAL 3ZXF 4GAL 5GAL
• 分子名称: GALECTIN-7, METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE (3 entities in total)
• 機能のキーワード: sugar binding protein
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm: P47929
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30524.33

構造登録者

Masuyer, G.,Oberg, C.T.,Leffler, H.,Nilsson, U.J.,Acharya, K.R. (登録日: 2011-08-10, 公開日: 2011-11-30, 最終更新日: 2023-12-20)

主引用文献

Masuyer, G.,Jabeen, T.,Oberg, C.T.,Leffler, H.,Nilsson, U.J.,Acharya, K.R.
Inhibition Mechanism of Human Galectin-7 by a Novel Galactose-Benzylphosphate Inhibitor.
FEBS J., 279:193-, 2012

PubMed Abstract: Galectins are involved in many cellular processes due to their ability to bind carbohydrates. Understanding their functions has shown the necessity for potent and specific galectin inhibitors. Human galectin-7 (hGal-7), in particular, has been highlighted as an important marker in many types of cancer by either inhibiting or promoting tumour growth. Producing ligands able to selectively target hGal-7 will offer promising tools for deciphering cancer processes in which hGal-7 is involved as well as present potential solutions for future therapeutics. Here we report the high resolution crystal structure of hGal-7 in complex with a synthetic 2-O-benzylphosphate-galactoside inhibitor (which is > 60-fold more potent than its parent galactoside). The high resolution crystallographic analysis highlights the validity of using saccharide derivatives, conserving properties of the galactose binding, while enhanced affinity and specificity is provided by the added phosphate group. This structural information will allow the design of further inhibitors with improved potency and specificity.

PubMed: 22059385
DOI: 10.1111/J.1742-4658.2011.08414.X

実験手法

X-RAY DIFFRACTION (1.67 Å)