Binding information for 2v0z_ligand_3_0.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v0z_ligand_3_0.mol2 | 2v0z | 1 | -5.90 | C(C)COC | 5 |
Structure and binding mode of 2v0z_ligand_3_0.mol2(FDBF00169)
Important binding residues for 2v0z_ligand_3_0.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v0z | GLN13 | -1.11 | -1.46 | -2.57 | 0.57 | -2.00 |
| 2v0z | TYR14 | -1.15 | -1.27 | -2.42 | 1.00 | -1.41 |
| 2v0z | VAL30 | -0.64 | 0.05 | -0.59 | -0.13 | -0.71 |
| 2v0z | PHE117 | -0.56 | -0.03 | -0.59 | 0.20 | -0.38 |
| 2v0z | ALA218 | -0.85 | -0.43 | -1.28 | 0.64 | -0.64 |
