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Galectin-1 (Gal-1), a member of a family of evolutionarily conserved glycan-binding proteins, binds specifically to poly-N-acetyllactosamine-enriched glycoconjugates. Through interactions with these glycoconjugates, this protein modulates inflammatory responses and contributes to tumor progression and immune cell homeostasis. The carbohydrate recognition domain includes the single protein tryptophan (Trp68). UV resonance Raman spectroscopy and molecular dynamic simulation were used to examine the change in the environment of the Trp on ligand binding. The UV Raman spectra and the calculated water radial distribution functions show that, while no large structural changes in the protein follow lactose binding, substantial solvent reorganization occurs. These new insights into the microscopic role of water molecules in Gal-1 binding to its specific carbohydrate ligands provides a better understanding of the physicochemical properties of Gal-1 - saccharide interactions, which will be useful for the design of synthetic inhibitors for therapeutic purposes. © 2009 American Chemical Society.


Documento: Artículo
Título:Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose
Autor:Di Lella, S.; Ma, L.; Díaz Ricci, J.C.; Rabinovich, G.A.; Asher, S.A.; Álvarez, R.M.S.
Filiación:Instituto Superior de Investigaciones Biológicas (CONICET-UNT), Facultad de Bioqúimica, Química y Farmacia, Universidad Nacional de Tucumán, S. M. de Tucumán, Tucuman, Argentina
Instituto de Qúimica-F́isica, Facultad de Bioqúimica, Química y Farmacia, Universidad Nacional de Tucumán, S. M. de Tucumán, Tucuman, Argentina
Departamento de Química Inorgánica, Analítica y Química-Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina
Department of Chemistry, Chevron Science Center, University of Pittsburgh, Pittsburgh, PN 15260, United States
Laboratorio de Inmunopatología, Instituto de Biología y Medicina Experimental, CONICET, Buenos Aires, Argentina
Palabras clave:Binding proteins; Carbohydrate ligands; Carbohydrate-recognition domains; Disaccharide lactose; Galectin-1; Glycoconjugates; Immune cells; Inflammatory response; Ligand bindings; Molecular dynamic simulations; Physico-chemical properties; Radial distribution functions; Role of waters; Solvent environments; Solvent reorganizations; Structural changes; Synthetic inhibitors; Tumor progressions; Uv-raman spectrum; Uv-resonance raman spectroscopies; Amino acids; Biochemistry; Ligands; Molecular dynamics; Organic compounds; Polysaccharides; Raman scattering; Raman spectroscopy; Sugars; Distribution functions; carbohydrate; disaccharide; galectin 1; glycan; lactose; solvent; tryptophan; LGALS1 protein, human; solvent; water; article; genetic conservation; homeostasis; human; immunocompetent cell; inflammation; ligand binding; molecular dynamics; nonhuman; physical chemistry; priority journal; protein carbohydrate interaction; protein family; Raman spectrometry; tumor growth; chemical model; chemistry; comparative study; computer simulation; metabolism; protein binding; thermodynamics; X ray crystallography; Computer Simulation; Crystallography, X-Ray; Galectin 1; Humans; Lactose; Models, Chemical; Protein Binding; Solvents; Spectrum Analysis, Raman; Thermodynamics; Water
Página de inicio:786
Página de fin:791
Título revista:Biochemistry
Título revista abreviado:Biochemistry
CAS:galectin 1, 258495-34-0; lactose, 10039-26-6, 16984-38-6, 63-42-3, 64044-51-5; tryptophan, 6912-86-3, 73-22-3; water, 7732-18-5; Galectin 1; Lactose, 63-42-3; LGALS1 protein, human; Solvents; Water, 7732-18-5


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---------- APA ----------
Di Lella, S., Ma, L., Díaz Ricci, J.C., Rabinovich, G.A., Asher, S.A. & Álvarez, R.M.S. (2009) . Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose. Biochemistry, 48(4), 786-791.
---------- CHICAGO ----------
Di Lella, S., Ma, L., Díaz Ricci, J.C., Rabinovich, G.A., Asher, S.A., Álvarez, R.M.S. "Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose" . Biochemistry 48, no. 4 (2009) : 786-791.
---------- MLA ----------
Di Lella, S., Ma, L., Díaz Ricci, J.C., Rabinovich, G.A., Asher, S.A., Álvarez, R.M.S. "Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose" . Biochemistry, vol. 48, no. 4, 2009, pp. 786-791.
---------- VANCOUVER ----------
Di Lella, S., Ma, L., Díaz Ricci, J.C., Rabinovich, G.A., Asher, S.A., Álvarez, R.M.S. Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose. Biochemistry. 2009;48(4):786-791.