Binding information for 4mm9_ligand_4_175.mol2(FDBF00166)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_175.mol2 | 4mm9 | 0.828571 | -7.43 | O[NH2+][C@H](CC)c1ccccc1 | 11 |
Structure and binding mode of 4mm9_ligand_4_175.mol2(FDBF00166)
Important binding residues for 4mm9_ligand_4_175.mol2(FDBF00166)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -2.04 | -0.95 | -2.99 | 2.20 | -0.79 |
| 4mm9 | PRO101 | -0.46 | 0.03 | -0.43 | 0.11 | -0.32 |
| 4mm9 | VAL104 | -1.37 | -0.06 | -1.43 | -0.35 | -1.78 |
| 4mm9 | TYR108 | -1.53 | 0.08 | -1.45 | 0.35 | -1.11 |
| 4mm9 | GLY256 | -0.56 | 0.06 | -0.5 | 0.06 | -0.44 |
| 4mm9 | PHE259 | -1.08 | -0.24 | -1.32 | 0.82 | -0.49 |
| 4mm9 | VAL261 | -0.41 | -0.07 | -0.48 | -0.05 | -0.53 |
| 4mm9 | SER355 | -0.91 | -0.19 | -1.1 | 0.21 | -0.88 |
| 4mm9 | GLY359 | -0.36 | -0.10 | -0.46 | 0.11 | -0.35 |
