Figure 3
From: GIANT: pattern analysis of molecular interactions in 3D structures of protein–small ligand complexes
Differences in interactions between two similar compounds bound with an identical target protein, CDK. (A, B) Screenshots of Complex Analyzer for [PDB: 2r3j] and [PDB: 2r3k]. Circles I and II indicate altered atoms between these two ligands. Three amino acid residues interacted with these two altered atoms, i.e., Ile10, His84, and Leu134, were shown as a stick model. Pink and Cyan arrows emphasizes interactions in patterns, and they corresponds to the panel (C, D) and (E), respectively. (C, D, E, F) Screenshots of Pattern Viewer about the interactions of Leu Cδ-Cγ-Cβ fragments with aromatic nitrogen atoms (C) and with aromatic carbon atoms (D), and those of His O-C-N with aromatic carbon atoms (E) and aromatic nitrogen atoms (F).