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. 2022 Aug 5;5:787. doi: 10.1038/s42003-022-03735-9

Fig. 7. ehSMOX and mPAOX substrate loop position and binding pocket of JNJ-1289 on ehSMOX.

Fig. 7

a ehSMOX in a blue cartoon with FAD and MDL72527 in yellow and orange transparent sticks; JNJ-1289 in orange spheres. In pink ribbon is depicted the flexible loop above the substrate pocket, in violet sticks, are the residues of that loop involved in intramolecular H-bonds (dotted lines) with residues (blue sticks) in the main body of the protein. b mPAOX (PDB: 5MBX) in a green cartoon with FAD in yellow. The loop above the substrate pocket is colored in orange, and orange and in green sticks are indicated residues involved in intramolecular H-bonds (orange dotted lines) belonging to the loop and to the rest of the protein, respectively. c JNJ-1289 interactions with ehSMOX residues. d JNJ-1289 (in yellow sticks) interactions with ehSMOX represented in blue ribbon. Residues involved in H-bonds (cyan dashed lines) or π-interactions (yellow dashed lines) are depicted in cyan sticks.