Binding information for 2x7o_ligand_1_3.mol2(FDBF04099)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x7o_ligand_1_3.mol2 | 2x7o | 0.884615 | -6.96 | N/C=C\1/c2ccccc2NC1=O | 12 |
Structure and binding mode of 2x7o_ligand_1_3.mol2(FDBF04099)
Important binding residues for 2x7o_ligand_1_3.mol2(FDBF04099)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x7o | ILE211 | -0.59 | -0.32 | -0.91 | 0.25 | -0.65 |
| 2x7o | VAL219 | -1.00 | -0.29 | -1.29 | -0.06 | -1.35 |
| 2x7o | ALA230 | -0.85 | -0.32 | -1.17 | 0.20 | -0.97 |
| 2x7o | LEU260 | -0.69 | -0.28 | -0.97 | 0.45 | -0.52 |
| 2x7o | ASP281 | -0.54 | -1.25 | -1.79 | 1.21 | -0.59 |
| 2x7o | TYR282 | -1.04 | -1.41 | -2.45 | 0.93 | -1.53 |
| 2x7o | HIS283 | -1.17 | -2.23 | -3.4 | 1.43 | -1.97 |
| 2x7o | LEU340 | -1.93 | -0.18 | -2.11 | 0.03 | -2.08 |
