Binding information for 4mm8_ligand_1_0.mol2(FDBF00162)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm8_ligand_1_0.mol2 | 4mm8 | 1 | -7.18 | FC(F)(F)c1ccccc1 | 10 |
Structure and binding mode of 4mm8_ligand_1_0.mol2(FDBF00162)
Important binding residues for 4mm8_ligand_1_0.mol2(FDBF00162)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm8 | VAL104 | -1.28 | -0.56 | -1.84 | -0.19 | -2.03 |
| 4mm8 | TYR108 | -1.31 | -0.65 | -1.96 | 0.75 | -1.21 |
| 4mm8 | PHE259 | -0.97 | -0.20 | -1.17 | 0.40 | -0.78 |
| 4mm8 | VAL261 | -0.35 | 0.13 | -0.22 | -0.12 | -0.34 |
| 4mm8 | SER355 | -0.92 | 0.45 | -0.47 | -0.22 | -0.68 |
