Binding information for 3g4l_ligand_1_3.mol2(FDBF05121)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g4l_ligand_1_3.mol2 | 3g4l | 0.555556 | -5.44 | OC(F)F | 4 |
Structure and binding mode of 3g4l_ligand_1_3.mol2(FDBF05121)
Important binding residues for 3g4l_ligand_1_3.mol2(FDBF05121)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g4l | TRP498 | -0.47 | 0.17 | -0.3 | -0.26 | -0.56 |
| 3g4l | THR499 | -0.74 | -0.96 | -1.7 | 0.06 | -1.64 |
| 3g4l | ILE502 | -0.34 | -0.16 | -0.5 | -0.14 | -0.64 |
| 3g4l | GLN535 | -0.51 | -2.38 | -2.89 | 1.05 | -1.85 |
