Binding information for 1wbn_ligand_2_9.mol2(FDBF00357)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wbn_ligand_2_9.mol2 | 1wbn | 1 | -6.09 | O(c1cccnc1)C | 8 |
Structure and binding mode of 1wbn_ligand_2_9.mol2(FDBF00357)
Important binding residues for 1wbn_ligand_2_9.mol2(FDBF00357)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wbn | VAL38 | -0.59 | -0.08 | -0.67 | -0.03 | -0.70 |
| 1wbn | ALA51 | -0.94 | -0.20 | -1.14 | 0.13 | -1.00 |
| 1wbn | ILE84 | -0.39 | 0.07 | -0.32 | -0.08 | -0.40 |
| 1wbn | LEU108 | -0.85 | -1.25 | -2.1 | 0.29 | -1.80 |
| 1wbn | MET109 | 0.22 | -2.83 | -2.61 | 1.67 | -0.93 |
| 1wbn | LEU167 | -0.52 | 0.17 | -0.35 | -0.09 | -0.44 |
| 1wbn | PHE169 | -1.25 | -0.21 | -1.46 | 0.27 | -1.19 |
