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. 2018 May 1;12:1065–1079. doi: 10.2147/DDDT.S144240

Figure 6.

Figure 6

Binding mode of compounds. (A) Zoomed view of compound A35 at the active site of BioA-SFG showing its interaction with the neighboring active site residues. (B) Superimposition of compound A35 docked at the active sites of BioA-SFG and BioA-KAPA. (C) Ligand interaction diagram showing the probable interactions of compound A35 with residues of BioA-KAPA. (D) Zoomed view of compound A36 at the active site of BioA-SFG showing its interaction with the neighboring active site residues of BioA. (E) Superimposition of compound A36 docked at the active sites of BioA-SFG and BioA-KAPA. (F) Ligand interaction diagram showing the probable interactions of compound A36 with residues of BioA. (G) Zoomed view of compound A65 at the active site showing its interaction with the neighboring active site residues of BioA. (H) Superimposition of compound A65 docked at the active sites of BioA-SFG and BioA-KAPA. (I) Ligand interaction diagram showing the probable interactions of compound A65 with residues of BioA. Figure 6A, D and G were generated by software Pymol.39 Ligand interaction diagrams were generated by using software Accelrys Discovery Studio.40

Abbreviations: BioA-SFG, 7,8-diaminopelargonic acid synthase structure complexed with sinefungin; KAPA, 7-keto-8-aminopelargonic acid.