Binding information for 3ftv_ligand_2_1.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftv_ligand_2_1.mol2 | 3ftv | 1 | -6.92 | c1ccccc1NC | 8 |
Structure and binding mode of 3ftv_ligand_2_1.mol2(FDBF00049)
Important binding residues for 3ftv_ligand_2_1.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftv | GLN136 | -1.46 | -1.04 | -2.5 | 0.98 | -1.52 |
| 3ftv | ALA137 | -1.17 | -0.26 | -1.43 | 0.24 | -1.19 |
| 3ftv | TRP311 | -1.10 | 0.06 | -1.04 | 0.54 | -0.49 |
| 3ftv | PHE314 | -1.49 | 0.06 | -1.43 | 0.46 | -0.97 |
| 3ftv | PRO374 | -0.98 | -1.73 | -2.71 | 0.98 | -1.73 |
| 3ftv | ALA377 | -0.23 | 0.27 | 0.04 | -0.46 | -0.41 |
| 3ftv | TYR378 | -1.66 | -0.61 | -2.27 | 0.50 | -1.76 |
