Binding information for 2wot_ligand_1_3.mol2(FDBF00867)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wot_ligand_1_3.mol2 | 2wot | 1 | -6.12 | c1cc(ccn1)O | 7 |
Structure and binding mode of 2wot_ligand_1_3.mol2(FDBF00867)
Important binding residues for 2wot_ligand_1_3.mol2(FDBF00867)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wot | ILE211 | -0.31 | -0.02 | -0.33 | -0.00 | -0.33 |
| 2wot | VAL219 | -0.54 | -0.14 | -0.68 | -0.20 | -0.88 |
| 2wot | ALA230 | -0.84 | -0.20 | -1.04 | -0.00 | -1.04 |
| 2wot | LEU260 | -0.69 | 0.87 | 0.18 | -0.69 | -0.51 |
| 2wot | TYR282 | -1.32 | -1.12 | -2.44 | 0.54 | -1.90 |
| 2wot | HIS283 | -0.89 | -1.43 | -2.32 | 0.66 | -1.66 |
| 2wot | LEU340 | -1.13 | -0.24 | -1.37 | 0.07 | -1.30 |
