Binding information for 2vj6_ligand_3_137.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj6_ligand_3_137.mol2 | 2vj6 | 1 | -7.23 | C(=O)NCCc1ccccc1 | 11 |
Structure and binding mode of 2vj6_ligand_3_137.mol2(FDBF00143)
Important binding residues for 2vj6_ligand_3_137.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj6 | LEU91 | -0.73 | 0.84 | 0.11 | -0.77 | -0.66 |
| 2vj6 | TYR132 | -1.86 | -1.32 | -3.18 | 1.29 | -1.89 |
| 2vj6 | THR133 | -0.73 | -3.35 | -4.08 | 2.37 | -1.71 |
| 2vj6 | GLN134 | -1.29 | -2.44 | -3.73 | 2.38 | -1.35 |
| 2vj6 | PHE169 | -1.40 | -0.44 | -1.84 | 1.14 | -0.69 |
| 2vj6 | ILE179 | -0.72 | 0.07 | -0.65 | -0.16 | -0.82 |
| 2vj6 | GLY291 | -0.72 | -2.23 | -2.95 | 1.95 | -1.01 |
| 2vj6 | THR292 | -0.85 | 0.10 | -0.75 | 0.37 | -0.38 |
