Binding information for 4ng9_ligand_3_9.mol2(FDBF00196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ng9_ligand_3_9.mol2 | 4ng9 | 1 | -5.80 | Cc1cc(O)c(O)cc1 | 9 |
Structure and binding mode of 4ng9_ligand_3_9.mol2(FDBF00196)
Important binding residues for 4ng9_ligand_3_9.mol2(FDBF00196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ng9 | HIS57 | -0.81 | -0.57 | -1.38 | 0.92 | -0.47 |
| 4ng9 | THR99 | -0.58 | -0.20 | -0.78 | -0.02 | -0.80 |
| 4ng9 | LYS192 | -0.66 | 0.51 | -0.15 | -0.42 | -0.57 |
| 4ng9 | TRP215 | -1.36 | -0.45 | -1.81 | 0.61 | -1.20 |
