Binding information for 2v96_ligand_3_16.mol2(FDBF07572)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v96_ligand_3_16.mol2 | 2v96 | 0.571429 | -5.22 | C(F)(F)(F)COC | 7 |
Structure and binding mode of 2v96_ligand_3_16.mol2(FDBF07572)
Important binding residues for 2v96_ligand_3_16.mol2(FDBF07572)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v96 | TRP279 | -0.73 | -0.51 | -1.24 | 0.64 | -0.60 |
| 2v96 | ILE287 | -0.61 | 0.26 | -0.35 | 0.04 | -0.31 |
| 2v96 | TYR334 | -0.87 | 0.08 | -0.79 | -0.05 | -0.84 |
