Catalytic Peptides Dataset

Manually curated dateset containing catalytic peptides reported in literature tested against the p-NPA and p-NPP substrates devided into two csv files based on whether they contain proteinogenic or non-proteinogenic amino acids. Along with the active sequences, inactive entries have been included. The tables are comprised of nine columns containing one-letter amino acid codes, sequence modifications, SMILES (Simplified molecular-input line-entry system) annotations, the substrates that the sequences were tested against along with the corresponding catalytic parameters (Kcat/KM and catalytic efficiency), mechanisms of action, ability to form secondary structures and/or self-assemble.

本数据集为人工整理所得，收录了文献中报道的、经对硝基苯甲酰苯胺（p-NPA）与对硝基苯磷酸酯（p-NPP）底物测试的催化肽，并根据序列是否包含蛋白源性氨基酸或非蛋白源性氨基酸，分为两个CSV文件。除活性序列外，数据集同时纳入了无活性条目。该数据集表格共包含9列信息，分别为：单字母氨基酸编码、序列修饰信息、SMILES（简化分子线性输入规范，Simplified molecular-input line-entry system）注释、该序列所测试的底物类型、对应的催化参数（Kcat/KM与催化效率）、作用机制、形成二级结构的能力以及/或自组装能力。