Binding information for 1m9n_ligand_1_2.mol2(FDBF03481)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m9n_ligand_1_2.mol2 | 1m9n | 1 | -6.57 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
Structure and binding mode of 1m9n_ligand_1_2.mol2(FDBF03481)
Important binding residues for 1m9n_ligand_1_2.mol2(FDBF03481)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m9n | VAL12 | -1.26 | -0.49 | -1.75 | -0.62 | -2.38 |
| 1m9n | SER13 | -0.51 | -2.53 | -3.04 | 2.45 | -0.59 |
| 1m9n | THR38 | -0.31 | 0.07 | -0.24 | -0.17 | -0.41 |
| 1m9n | LYS67 | -0.88 | -5.17 | -6.05 | 4.98 | -1.07 |
| 1m9n | LEU104 | -1.04 | 0.20 | -0.84 | -1.13 | -1.97 |
| 1m9n | TYR105 | -1.46 | -0.14 | -1.6 | 0.75 | -0.84 |
| 1m9n | GLY129 | -0.01 | -0.02 | -0.03 | -1.27 | -1.29 |
| 1m9n | LEU132 | -0.20 | -0.01 | -0.21 | -0.13 | -0.34 |
