Binding information for 3ftv_ligand_frag_0.mol2(FDBF00014)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftv_ligand_frag_0.mol2 | 3ftv | 1 | -6.27 | n1ccccc1 | 6 |
Structure and binding mode of 3ftv_ligand_frag_0.mol2(FDBF00014)
Important binding residues for 3ftv_ligand_frag_0.mol2(FDBF00014)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftv | PHE314 | -1.26 | -0.60 | -1.86 | 0.38 | -1.49 |
| 3ftv | VAL367 | -0.76 | -0.15 | -0.91 | 0.05 | -0.86 |
| 3ftv | LEU369 | -0.57 | 0.19 | -0.38 | -0.14 | -0.53 |
| 3ftv | PRO374 | -0.38 | -0.33 | -0.71 | 0.40 | -0.32 |
| 3ftv | ALA377 | -0.73 | -0.41 | -1.14 | 0.56 | -0.58 |
| 3ftv | PRO382 | -0.84 | 0.01 | -0.83 | 0.05 | -0.78 |
