Figure 7.

Active site signature logos for subnetworks of the GST superfamily highlight possible mechanistically determinant residues. A. Signature logos were created for the entire GST superfamily (top logo) and the six largest subnetworks identified at an edge threshold of 0.35 in the signature-based network. Black stars (top logo) indicate the three key residues used to create the active site signatures. Black circles (top logo) indicate residues, displayed as black side chains in B–E, well conserved throughout the superfamily. Colored circles indicate residues conserved within a subnetwork, but not conserved throughout the superfamily—these are represented with subgroup-colored side chains in B–E. Yellow circles indicate residues reported as functionally relevant in the literature. Blue circles indicate residues discussed in detail in the text. Pink circles indicate well-conserved residues not discussed in the text. Node colors are based on SFLD subgroup (key in Supporting Information Fig. 1). Subnetworks are labeled with the dominant SFLD subgroup and the number of proteins. B–E. Residues displayed in green, red, orange, and pink are conserved in Main.4 (1JLV), Main.1 (1A0F), Main.2 (3C8E), and Main.8 subgroup (1E6B), respectively. Hydrogen bonds are represented by blue lines in all structures.