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Table 5 The most active derivatives interaction with the key amino acid residues of the ATP binding pocket of GyrB subunit (PDB ID: 4KFG) from E. coli

From: Indole hybridized diazenyl derivatives: synthesis, antimicrobial activity, cytotoxicity evaluation and docking studies

Compound Interacting residues at the active site
DS-6 Pro79, Ile78, Gly77, Arg76, Asp73, Ile90, Met91, Glu50, Asp49, Ala47, Asn46, Asp45, Val43, Glu42, Val120, Val118, His116, Leu 115, Val111, Ser108, Asp106
DS-10 Asn46, Ala47, Asp49, Glu50, Pro79, Ile78, Arg76, Asp73, Thr165, Ile 90, Arg76, Asp73, Thr165, Ile 90, Asp106, Asn 107, Ser108
DS-11 Val120, Gly119, Glu42, Val43, Asp45, Asn46, Ala47, Asp49, Glu50, Ser108, Asp73, Arg76
DS-14 Pro79, Ile78, Arg76, Asp73, Glu50, Asp49, Ala47, Asn46, Asp45, Glu42, Val111, Ser108, Asp106
DS-16 Pro79, Ile78, Arg76, Asp73, Glu50, Asp49, Ala47, Asn46, Asp45, Glu42, Val111, Ser108, Asn107, Asp106
DS-19 Asp73, Val71, Glu50, Asp49, Ala47, Asn46, Asp45, Val43, Glu42, Leu115, His116, Val118, Gly119, Val120, Ser108, Asp106
DS-20 Pro79, Ile78, Gly77, Arg76, Asp73, Gln72, Val71, Glu50, Ala47, Asn46, Asp45, Val43, Glu42
DS-21 Pro79, Ile78, Arg76, Asp73, Glu50, Asp49, Asp73, Ala47, Asn46, Val120, Asp45, Val118
CPR Ile90, Val120, Leu132, Val167, Val43, Asn46, Ala47, Thr165, Val71, Asp73, Arg76, Ile78, Pro79
NOV Ile90, Ala53, Glu50, Asp49, Ala47, Asn46, Lys110, Thr165, Asp73, Arg76, Ile78, Pro79
  1. CPR ciprofloxacin, NOV novobiocin