Binding information for 4dgr_ligand_3_64.mol2(FDBF05285)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dgr_ligand_3_64.mol2 | 4dgr | 0.294118 | -5.45 | N(C)/C=C/C | 5 |
Structure and binding mode of 4dgr_ligand_3_64.mol2(FDBF05285)
Important binding residues for 4dgr_ligand_3_64.mol2(FDBF05285)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dgr | ILE222 | -0.22 | -0.06 | -0.28 | -0.10 | -0.39 |
| 4dgr | ARG224 | -0.74 | -0.12 | -0.86 | 0.38 | -0.48 |
| 4dgr | ALA246 | -0.43 | -0.11 | -0.54 | 0.02 | -0.52 |
