Binding information for 2bdj_ligand_1_5.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bdj_ligand_1_5.mol2 | 2bdj | 1 | -6.93 | c1(cccc(c1)O)C | 8 |
Structure and binding mode of 2bdj_ligand_1_5.mol2(FDBF02914)
Important binding residues for 2bdj_ligand_1_5.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bdj | VAL281 | -0.56 | 0.04 | -0.52 | -0.12 | -0.64 |
| 2bdj | ALA293 | -0.52 | 0.02 | -0.5 | 0.08 | -0.42 |
| 2bdj | LYS295 | -1.77 | -4.08 | -5.85 | 3.24 | -2.61 |
| 2bdj | VAL323 | -0.40 | -0.64 | -1.04 | 0.70 | -0.35 |
| 2bdj | ILE336 | -0.52 | -0.20 | -0.72 | 0.20 | -0.52 |
| 2bdj | VAL337 | -0.16 | 0.05 | -0.11 | -0.20 | -0.32 |
| 2bdj | THR338 | -1.12 | -0.55 | -1.67 | 1.16 | -0.51 |
| 2bdj | LEU393 | -0.35 | 0.07 | -0.28 | -0.13 | -0.41 |
| 2bdj | ALA403 | -0.54 | 0.20 | -0.34 | -0.38 | -0.72 |
| 2bdj | ASP404 | -0.46 | -2.70 | -3.16 | 2.56 | -0.60 |
| 2bdj | PHE405 | -0.24 | -0.39 | -0.63 | 0.30 | -0.33 |
