Binding information for 4dgr_ligand_4_91.mol2(FDBF05285)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dgr_ligand_4_91.mol2 | 4dgr | 0.294118 | -5.55 | N(C)(C)/C=C/C | 6 |
Structure and binding mode of 4dgr_ligand_4_91.mol2(FDBF05285)
Important binding residues for 4dgr_ligand_4_91.mol2(FDBF05285)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dgr | ARG152 | -0.36 | -1.90 | -2.26 | 1.91 | -0.35 |
| 4dgr | ILE222 | -0.26 | -0.06 | -0.32 | -0.10 | -0.41 |
| 4dgr | ARG224 | -0.89 | -0.27 | -1.16 | 0.33 | -0.83 |
| 4dgr | ALA246 | -0.44 | -0.11 | -0.55 | 0.02 | -0.54 |
