Binding information for 4mm8_ligand_3_10.mol2(FDBF01159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm8_ligand_3_10.mol2 | 4mm8 | 0.75 | -6.91 | CCOc1ccccc1 | 9 |
Structure and binding mode of 4mm8_ligand_3_10.mol2(FDBF01159)
Important binding residues for 4mm8_ligand_3_10.mol2(FDBF01159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm8 | VAL104 | -1.03 | -0.19 | -1.22 | -0.10 | -1.33 |
| 4mm8 | TYR108 | -1.24 | -0.04 | -1.28 | 0.40 | -0.87 |
| 4mm8 | PHE259 | -1.28 | 0.15 | -1.13 | 0.37 | -0.76 |
| 4mm8 | VAL261 | -0.31 | -0.09 | -0.4 | 0.05 | -0.35 |
| 4mm8 | SER355 | -0.85 | 0.07 | -0.78 | 0.11 | -0.67 |
