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

TABLE 8.

Phosphotransferase system (PTS) fructose transporter subunit IIA 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
ZINC18033182 4 Asp 58, Glu 85 –52.033 –11.38848
ZINC32714665 3 His 83, Glu 85, Asp 58 –65.244 –11.38571
ZINC17004087 3 Glu 85, Tyr 87, Asp 58 –12.11   –11.27542
ZINC72145573 4 Lys 3, Glu 85, Asp 58 –19.982 –10.27034
ZINC71780811 4 Lys 118, Gln 28, Glu 22 –23.974    –9.37229
ZINC01638334 3 Asp 58, Glu 85 –27.139 –11.97846
ZINC01613419 4 Glu 85, Asp 58 –22.839 –11.70157
ZINC04261883 4 Glu 85, His 83 –11.661 –10.3571  
ZINC38292458 3 Glu 85, Asp 58 –15.396 –10.78736
ZINC49625635 4 Asp 58, Glu 85 –51.252 –10.71723