Binding information for 1ndw_ligand_2_4.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ndw_ligand_2_4.mol2 | 1ndw | 1 | -5.72 | C(O)CC | 4 |
Structure and binding mode of 1ndw_ligand_2_4.mol2(FDBF00018)
Important binding residues for 1ndw_ligand_2_4.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ndw | ARG101 | -0.20 | -2.34 | -2.54 | 2.05 | -0.49 |
| 1ndw | TYR102 | -0.40 | -0.15 | -0.55 | -0.26 | -0.81 |
| 1ndw | MET155 | -0.51 | 0.00 | -0.51 | 0.02 | -0.48 |
