Figure 3.

Molecular docking analysis of the interaction between the selected herbicides and the Q_B binding site of the D1 protein (chain A, PDB: 5XNL). Binding geometry of diuron (A), metribuzin (B), terbuthylazine (C), metobromuron (D) and bentazon (E). In panels (A–E), on the left view of the herbicides in the Q_B binding pocket followed by an enlarged view of the same region showing the amino acids in close contact (<4 Å) to each herbicide. In panels (A,B), on the right enlarged views of the same Q_B binding pocket region with a different orientation to show details of the hydrogen bonds formed by the herbicides diuron (A) and metribuzin (B) with His215. The herbicide molecules are colored in black, the D1 protein and cofactors are colored as in Figure 1B,C, hydrogen bonds are indicated as purple segments.