Binding information for 4mm9_ligand_4_0.mol2(FDBF00175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_0.mol2 | 4mm9 | 1 | -5.68 | CCCCOC | 6 |
Structure and binding mode of 4mm9_ligand_4_0.mol2(FDBF00175)
Important binding residues for 4mm9_ligand_4_0.mol2(FDBF00175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | VAL104 | -0.57 | 0.14 | -0.43 | -0.17 | -0.60 |
| 4mm9 | TYR108 | -0.57 | -0.13 | -0.7 | 0.24 | -0.47 |
| 4mm9 | PHE253 | -1.16 | 0.01 | -1.15 | 0.33 | -0.82 |
| 4mm9 | THR408 | -0.54 | 0.07 | -0.47 | 0.01 | -0.46 |
