Binding information for 2j9h_ligand_5_1266.mol2(FDBF01029)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j9h_ligand_5_1266.mol2 | 2j9h | 0.75 | -5.82 | C(CSC)CC | 6 |
Structure and binding mode of 2j9h_ligand_5_1266.mol2(FDBF01029)
Important binding residues for 2j9h_ligand_5_1266.mol2(FDBF01029)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2j9h | PHE9 | -0.97 | -0.30 | -1.27 | 0.63 | -0.65 |
| 2j9h | VAL11 | -0.74 | 0.08 | -0.66 | -0.06 | -0.72 |
