6B94
Crystal structure of Human galectin-1 in complex with Lactulose
Summary for 6B94
| Entry DOI | 10.2210/pdb6b94/pdb |
| Related PRD ID | PRD_900038 |
| Descriptor | Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose, BETA-MERCAPTOETHANOL, ... (5 entities in total) |
| Functional Keywords | galectin-1, sugar binding protein |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 30802.06 |
| Authors | Kishor, C.,Blanchard, H. (deposition date: 2017-10-09, release date: 2018-10-10, Last modification date: 2025-04-02) |
| Primary citation | 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 Cited by 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: 29888844DOI: 10.1111/cbdd.13348 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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