Binding information for 2vba_ligand_1_1.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vba_ligand_1_1.mol2 | 2vba | 1 | -6.74 | c1(ccccc1)N | 7 |
Structure and binding mode of 2vba_ligand_1_1.mol2(FDBF00046)
Important binding residues for 2vba_ligand_1_1.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vba | ALA162 | -0.82 | -1.37 | -2.19 | 0.54 | -1.66 |
| 2vba | CYS163 | -0.47 | -0.46 | -0.93 | -0.02 | -0.95 |
| 2vba | PHE201 | -0.76 | -0.21 | -0.97 | 0.41 | -0.56 |
| 2vba | LEU335 | -0.73 | -0.00 | -0.73 | 0.03 | -0.70 |
| 2vba | PHE392 | -1.05 | -0.13 | -1.18 | 0.07 | -1.10 |
| 2vba | VAL134 | -0.54 | -0.00 | -0.54 | 0.19 | -0.36 |
| 2vba | MET138 | -0.67 | 0.14 | -0.53 | 0.05 | -0.47 |
