Binding information for 1v48_ligand_4_10.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v48_ligand_4_10.mol2 | 1v48 | 0.785714 | -5.90 | CCCCC(F)F | 7 |
Structure and binding mode of 1v48_ligand_4_10.mol2(FDBF03175)
Important binding residues for 1v48_ligand_4_10.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v48 | ALA117 | -0.47 | -0.06 | -0.53 | 0.13 | -0.41 |
| 1v48 | PHE200 | -0.39 | 0.03 | -0.36 | -0.00 | -0.36 |
| 1v48 | MET219 | -1.36 | 0.17 | -1.19 | 0.04 | -1.14 |
