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. 2021 Mar 25;12:564056. doi: 10.3389/fgene.2021.564056

TABLE 16.

DNA-binding response regulator and its interaction profile with docked compounds, their ZINC ID, minimized energy, number of interactions, dock score, and interactive residues.

ZINC ID Number of interactions Interacting residues Minimized energy Dock score
ZINC22108884 6 Lys 153, Lys 156, Arg 117 –27.838 –19.4464
ZINC27572262 5 Arg 117, Lys 156, Lys 153, Lys 156, Gln 140 –19.566 –20.5433
ZINC31156942 6 Gly 138, Gln 140, Arg 117, Lys 156, Lys 153 –26.579 –17.2159
ZINC17353456 7 Gln 140, Lys 156, Arg 117, Lys 153 –23.609 –17.5458
ZINC71777127 7 Lys 153, Lys 156, Arg 117, His 74, Gln 140 –30.601 –16.2028
ZINC72271115 6 Ser 114, Lys 156, Lys 153 –25.49   –20.9289
ZINC01532584 5 Lys 153, Lys 156, Arg 117, His 74 –27.704 –16.6738
ZINC01618279 5 Gly 152, Lys 153, Lys 156, Arg 117 –15.932 –14.1481
ZINC01673626 5 Lys 156, Lys 153 –29.47   –13.6307
ZINC38140720 7 His 74, Ser 114, Arg 117, Lys 156, Lys 153 –34.255 –18.0982