Homology modeling of the three membrane proteins of the dhurrin metabolon: Catalytic sites, membrane surface association and protein-protein interactions

► Homology models of the dhurrin membrane associated proteins were generated. ► Presence of p-hydroxy group on substrate influences enzyme catalytic activity. ► Key residues involved in substrate binding were identified. ► Cytosolic sites for CPR-cytochrome P450 interactions identified. ► A thorough investigation was done into metabolon formation and membrane positioning.