Binding information for 1m9n_ligand_frag_1.mol2(FDBF01457)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m9n_ligand_frag_1.mol2 | 1m9n | 1 | -6.16 | C1OC[C@@H]([C@@H]1O)O | 7 |
Structure and binding mode of 1m9n_ligand_frag_1.mol2(FDBF01457)
Important binding residues for 1m9n_ligand_frag_1.mol2(FDBF01457)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m9n | VAL12 | -0.98 | -0.44 | -1.42 | -0.60 | -2.01 |
| 1m9n | SER13 | -0.36 | -2.48 | -2.84 | 2.35 | -0.49 |
| 1m9n | LYS67 | -0.67 | -5.00 | -5.67 | 4.32 | -1.35 |
| 1m9n | LEU104 | -1.02 | 0.24 | -0.78 | -1.11 | -1.90 |
| 1m9n | TYR105 | -1.36 | -0.18 | -1.54 | 0.74 | -0.80 |
| 1m9n | GLY129 | -0.01 | -0.07 | -0.08 | -1.25 | -1.33 |
| 1m9n | LEU132 | -0.19 | -0.01 | -0.2 | -0.14 | -0.34 |
