Binding information for 2v96_ligand_5_0.mol2(FDBF07572)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v96_ligand_5_0.mol2 | 2v96 | 0.5 | -5.40 | C(F)(F)(COCC)F | 8 |
Structure and binding mode of 2v96_ligand_5_0.mol2(FDBF07572)
Important binding residues for 2v96_ligand_5_0.mol2(FDBF07572)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v96 | TRP279 | -1.17 | -0.45 | -1.62 | 0.75 | -0.87 |
| 2v96 | ILE287 | -0.63 | 0.24 | -0.39 | 0.08 | -0.32 |
| 2v96 | TYR334 | -0.88 | 0.07 | -0.81 | -0.03 | -0.84 |
