Figure 2 | Scientific Reports

Figure 2

From: Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor

Figure 2

Binding of 2,4- and 2,4,4′-hydroxy benzophenones in GSTO3S hydrophobic binding site. Stereoviews of sections of the GSTO3S complex structures with 2,4-HBP (top view) and 2,4,4′-HBP (bottom view) are shown. TvGSTO3S H-site is a well-delineated cavity deeply inserted in between helices α4 and α6 of the C-terminal domain. It is perfectly suited to accommodate polyaromatic ligands, due to its strong hydrophobic character given by the aromatic side chains of F123, W127, F128, F168, the aliphatic parts of R171 and Y175, completed with polar residues (Y17 and R124) at the cavity entrance close to the G-site. Polar intermolecular contacts are materialized as dashed lines. Surrounding side chains are represented in sticks. HBPs are shown as yellow sticks and spheres. 2mFo-DFc composite omit maps shown at 1.0 σ around HBPs were calculated by PHENIX.

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