Binding information for 3ftw_ligand_2_1.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftw_ligand_2_1.mol2 | 3ftw | 1 | -6.93 | c1ccccc1NC | 8 |
Structure and binding mode of 3ftw_ligand_2_1.mol2(FDBF00049)
Important binding residues for 3ftw_ligand_2_1.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftw | GLN136 | -1.31 | -1.07 | -2.38 | 1.04 | -1.34 |
| 3ftw | ALA137 | -1.15 | -0.28 | -1.43 | 0.22 | -1.22 |
| 3ftw | TRP311 | -1.11 | 0.06 | -1.05 | 0.55 | -0.50 |
| 3ftw | PHE314 | -1.44 | 0.07 | -1.37 | 0.64 | -0.73 |
| 3ftw | PRO374 | -0.98 | -1.91 | -2.89 | 1.05 | -1.84 |
| 3ftw | ALA377 | -0.24 | 0.27 | 0.03 | -0.47 | -0.43 |
| 3ftw | TYR378 | -1.63 | -0.68 | -2.31 | 0.54 | -1.78 |
