Binding information for 2wou_ligand_1_1.mol2(FDBF00867)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wou_ligand_1_1.mol2 | 2wou | 1 | -6.10 | Oc1ccncc1 | 7 |
Structure and binding mode of 2wou_ligand_1_1.mol2(FDBF00867)
Important binding residues for 2wou_ligand_1_1.mol2(FDBF00867)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wou | VAL219 | -0.60 | -0.11 | -0.71 | -0.18 | -0.90 |
| 2wou | ALA230 | -0.77 | -0.35 | -1.12 | 0.06 | -1.06 |
| 2wou | LEU260 | -0.67 | 0.82 | 0.15 | -0.66 | -0.51 |
| 2wou | TYR282 | -1.23 | -1.11 | -2.34 | 0.56 | -1.78 |
| 2wou | HIS283 | -1.08 | -1.14 | -2.22 | 0.54 | -1.68 |
| 2wou | LEU340 | -1.16 | -0.27 | -1.43 | 0.08 | -1.35 |
