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. 2018 Oct 12;23(10):2627. doi: 10.3390/molecules23102627

Table 4.

The calculation of energy binding affinity and intermolecular energy of LuxS proteins with ligand by docking server.

Protein PDB: ID and Species Name Energy Binding Affinity Total Intermolecular Energy
LuxS (predicted model) A. hydrophila −3.06 (Kcal/mol) −4.26 kcal/mol
LuxS (5e68) Salmonella typhi −2.50 (Kcal/mol) −3.63 kcal/mol
LuxS (4XCH) Streptococcus suis −1.76 (Kcal/mol) −2.90 kcal/mol
LuxS (1VJE) Deinococcus radiodurans −2.55 (Kcal/mol) −3.69 kcal/mol