Figure 5 | Scientific Reports

Figure 5

From: Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads

Figure 5

Structural comparisons of AfuAHAS and CaAHAS. (a) The overall structure of the AfuAHAS homology model (green) superimposed onto the crystal structure of CaAHAS (light blue). (b, c) The herbicide binding sites in AfuAHAS and CaAHAS. Residues that make up the binding site from the two different subunits are shown separately in panels (b) and (c). (d–i) Comparison of CE, SM, BSM, PC, PS and MT binding to S254 and S254 in the AfuAHAS model and A191 and A196 of CaAHAS in the crystal structures (PDB IDs for the structures of the complexes are 6DEL, 6DEP, 6DEM, 6DES, 6DEQ and 6DER, respectively). The herbicides, thiamine diphosphate and flavin adenine dinucleotide are shown as ball and stick models with the carbon atoms in blue or green for the herbicides and protein and cyan and yellow for thiamine diphosphate and flavin adenine dinucleotide. The magnesium ions are shown as purple spheres. The amino acid side-chains are shown as stick models. The dashed lines represent distances between the two atoms, not necessarily bond formation. The images were prepared using CCP4mg22.

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