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Table 4 Interactions of compounds (5d, 5e, 5f, 5g, 5i, 5l) with crystal structure of pantothenate synthetase in complex with (PDB id: 3IVX)

From: Novel drug targets for Mycobacterium tuberculosis: 2-heterostyrylbenzimidazoles as inhibitors of cell wall protein synthesis

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