Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39)
作者： Araya Ranok , Jantana Wongsantichon , Robert C. Robinson , Wipa Suginta
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摘要: Four crystal structures of human YKL-39 were solved in the absence and presence chitooligosaccharides. The structure comprises a major (β/α)8 triose-phosphate isomerase barrel domain small α + β insertion domain. Structural analysis demonstrates that interacts with chitooligosaccharides through hydrogen bonds hydrophobic interactions. binding chitin fragments induces local conformational changes facilitate tight binding. Compared other GH-18 members, has least extended chitin-binding cleft, containing five subsites for sugars, namely (−3)(−2)(−1)(+1)(+2), Trp-360 playing prominent role sugar-protein interactions at center cleft. Evaluation affinities obtained from isothermal titration calorimetry intrinsic fluorescence spectroscopy suggests binds to Kd values micromolar concentration range energies increase chain length. There no significant differences between chitopentaose chitohexaose, supporting structural evidence subsite topology. Thermodynamic indicates chitooligosaccharide is mainly driven by enthalpy. Background: Human currently recognized as biomarker osteoarthritis. Results: Crystal reveal stabilize sugar·protein complexes protein contains sugars. Conclusion: enthalpic reactions. Significance: Our findings suggest how GlcNAc moieties natural ligands, which may possibly activate tissue inflammation.
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