López Gonzalo, Rojas Ana, Tress Michael, Valencia Alfonso
Structural and Computational Biology Programme, Spanish National Cancer Research Centre, Almagro, Madrid, Spain.
Proteins. 2007;69 Suppl 8:165-74. doi: 10.1002/prot.21651.
Here we present a full overview of the Critical Assessment of Protein Structure Prediction (CASP7) function prediction category. Predictions were submitted for Gene Ontology molecular function terms, Enzyme Commission numbers, and ligand binding site residues. The first two categories were difficult to assess because very little new functional information becomes available after the experiment. The majority of the known Gene Ontology terms and all the Enzyme Commission numbers were available a priori to predictors before the experiment, so prediction for these two categories was not blind. Nevertheless, for Gene Ontology terms we were able to demonstrate that some groups made better predictions than others. In the binding residue category, the predictors did not know in advance which ligands were bound and therefore blind evaluation was possible, but there were disappointingly few predictions in this category. After CASP 6 and 7 the need to organize a more effective blind function prediction category is obvious, even if it means focusing on binding site prediction as the only category that can be truly assessed in the CASP spirit.
在此,我们全面概述了蛋白质结构预测关键评估(CASP7)功能预测类别。针对基因本体分子功能术语、酶委员会编号和配体结合位点残基提交了预测结果。前两类难以评估,因为实验后几乎没有新的功能信息可用。大多数已知的基因本体术语和所有酶委员会编号在实验前预测者就已事先知晓,所以这两类的预测并非盲测。然而,对于基因本体术语,我们能够证明一些团队的预测比其他团队更好。在结合残基类别中,预测者事先不知道结合了哪些配体,因此可以进行盲测,但令人失望的是,该类别中的预测很少。在CASP 6和7之后,显然有必要组织一个更有效的盲测功能预测类别,即便这意味着将重点放在结合位点预测上,因为这是唯一能真正按照CASP精神进行评估的类别。