Table 4.

Interactions of compounds (5d, 5e, 5f, 5g, 5i, 5l) with crystal structure of pantothenate synthetase in complex with (PDB id: 3IVX)

C. no	Interacting amino acids	Grid X–Y–Z coordinates	Binding energy ΔG (Kcal/Mol)	Dissociation constant (kI)
5d	Val287, Met195	15.137, 17.850, −3.573	−9.09	216.48
5e	His44	15.137, 17.850, −3.573	−8.67	441.98
5f	Lys160, Val187	15.137, 17.850, −3.573	−9.80	65.64
5g	Lys160	15.137, 17.850, −3.573	−9.67	81.08
5i	His44, Asp141	15.137, 17.850, −3.573	−9.59	94.13
5l	Val187	15.137, 17.850, −3.573	−8.53	556.07