Binding information for 2wot_ligand_3_35.mol2(FDBF02609)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wot_ligand_3_35.mol2 | 2wot | 1 | -6.07 | O(C)c1ccc(cc1OC)N | 11 |
Structure and binding mode of 2wot_ligand_3_35.mol2(FDBF02609)
Important binding residues for 2wot_ligand_3_35.mol2(FDBF02609)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wot | ILE211 | -1.88 | -0.49 | -2.37 | 0.53 | -1.84 |
| 2wot | VAL219 | -0.26 | -0.00 | -0.26 | -0.16 | -0.43 |
| 2wot | HIS283 | -0.42 | -1.96 | -2.38 | 1.35 | -1.02 |
| 2wot | HIS285 | -0.30 | 0.40 | 0.1 | -0.48 | -0.38 |
| 2wot | GLY286 | -0.97 | -1.28 | -2.25 | 0.67 | -1.58 |
| 2wot | SER287 | -0.92 | -0.48 | -1.4 | 0.61 | -0.79 |
| 2wot | LEU340 | -0.84 | 0.09 | -0.75 | -0.14 | -0.88 |
