Binding information for 4mm9_ligand_2_35.mol2(FDBF00161)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_2_35.mol2 | 4mm9 | 1 | -6.77 | O[NH2+]Cc1ccccc1 | 9 |
Structure and binding mode of 4mm9_ligand_2_35.mol2(FDBF00161)
Important binding residues for 4mm9_ligand_2_35.mol2(FDBF00161)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.90 | -0.92 | -2.82 | 1.98 | -0.85 |
| 4mm9 | VAL104 | -1.15 | -0.05 | -1.2 | -0.33 | -1.54 |
| 4mm9 | TYR108 | -1.43 | 0.11 | -1.32 | 0.30 | -1.02 |
| 4mm9 | PHE259 | -1.10 | -0.27 | -1.37 | 0.47 | -0.90 |
| 4mm9 | VAL261 | -0.38 | -0.06 | -0.44 | -0.05 | -0.50 |
| 4mm9 | SER355 | -0.89 | -0.19 | -1.08 | 0.21 | -0.87 |
| 4mm9 | GLY359 | -0.35 | -0.09 | -0.44 | 0.11 | -0.33 |
