Taroni C, Jones S, Thornton J M
Biomolecular Structure and Modelling Unit, Department of Biochemistry and Molecular Biology, University College London, Gower Street, London, WC1E 6BT, UK.
Protein Eng. 2000 Feb;13(2):89-98. doi: 10.1093/protein/13.2.89.
An analysis of the characteristic properties of sugar binding sites was performed on a set of 19 sugar binding proteins. For each site six parameters were evaluated: solvation potential, residue propensity, hydrophobicity, planarity, protrusion and relative accessible surface area. Three of the parameters were found to distinguish the observed sugar binding sites from the other surface patches. These parameters were then used to calculate the probability for a surface patch to be a carbohydrate binding site. The prediction was optimized on a set of 19 non-homologous carbohydrate binding structures and a test prediction was carried out on a set of 40 protein-carbohydrate complexes. The overall accuracy of prediction achieved was 65%. Results were in general better for carbohydrate-binding enzymes than for the lectins, with a rate of success of 87%.
对一组19种糖结合蛋白的糖结合位点的特征性质进行了分析。对于每个位点，评估了六个参数：溶剂化势、残基倾向、疏水性、平面性、突出度和相对可及表面积。发现其中三个参数能够将观察到的糖结合位点与其他表面区域区分开来。然后使用这些参数来计算一个表面区域成为碳水化合物结合位点的概率。在一组19个非同源碳水化合物结合结构上对预测进行了优化，并在一组40个蛋白质-碳水化合物复合物上进行了测试预测。所实现的预测总体准确率为65%。一般来说，碳水化合物结合酶的结果比对凝集素的结果要好，成功率为87%。
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