Fig. 2: Overview of the data sets used. | Communications Biology

Fig. 2: Overview of the data sets used.

From: PremPLI: a machine learning model for predicting the effects of missense mutations on protein-ligand interactions

Fig. 2

S796: visualization of four types of protein–ligand complex structures and distribution of the number of complexes and unique ligands across different number of mutations are presented. Majority of complexes contain only one single mutation; S144: 3D structure of human Abl kinase with axitinib bound (PDB ID: 4WA9, mutation sites are shown in red), names and chemical structures of eight tyrosine kinase inhibitors (TKIs), and the number of mutations for each type of inhibitor are provided; S99: the number of complexes and mutations for each type of complex structure, statistics of the types of mutations (see Supplementary Fig. 1 for the definition), and distribution of molecular weight and number of rotatable bonds for the ligands in S796 and S99 are shown. See Supplementary Figs. 1 and  2 for more information about the data sets.

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