Binding information for 4zg7_ligand_1_0.mol2(FDBF01840)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zg7_ligand_1_0.mol2 | 4zg7 | 0.496296 | -7.47 | CN1c2c(c(ccc2C[C@H]1C)Cl)F | 13 |
Structure and binding mode of 4zg7_ligand_1_0.mol2(FDBF01840)
Important binding residues for 4zg7_ligand_1_0.mol2(FDBF01840)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zg7 | PHE211 | -0.63 | 0.38 | -0.25 | -0.11 | -0.36 |
| 4zg7 | LEU214 | -1.16 | 0.17 | -0.99 | -0.28 | -1.27 |
| 4zg7 | TYR215 | -1.17 | -0.19 | -1.36 | 0.57 | -0.78 |
| 4zg7 | PHE250 | -0.99 | -0.13 | -1.12 | 0.38 | -0.74 |
| 4zg7 | TRP255 | -3.35 | 0.34 | -3.01 | 1.09 | -1.92 |
| 4zg7 | TRP261 | -0.64 | -0.03 | -0.67 | 0.31 | -0.37 |
| 4zg7 | PHE275 | -1.66 | -0.11 | -1.77 | 0.47 | -1.30 |
