Binding information for 3gkz_ligand_1_1.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gkz_ligand_1_1.mol2 | 3gkz | 1 | -7.24 | Cc1ccccc1 | 7 |
Structure and binding mode of 3gkz_ligand_1_1.mol2(FDBF00023)
Important binding residues for 3gkz_ligand_1_1.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gkz | TYR41 | -1.47 | 0.05 | -1.42 | 0.52 | -0.91 |
| 3gkz | TYR58 | -0.92 | -0.22 | -1.14 | 0.62 | -0.52 |
| 3gkz | PHE106 | -1.70 | -0.20 | -1.9 | 0.67 | -1.23 |
| 3gkz | TRP232 | -0.98 | -0.31 | -1.29 | 0.97 | -0.33 |
| 3gkz | PHE237 | -0.99 | -0.71 | -1.7 | 0.86 | -0.84 |
