Binding information for 4x60_ligand_1_2.mol2(FDBF03198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4x60_ligand_1_2.mol2 | 4x60 | 0.670455 | -6.95 | C[N@@H+]1CCc2ccccc2C1 | 11 |
Structure and binding mode of 4x60_ligand_1_2.mol2(FDBF03198)
Important binding residues for 4x60_ligand_1_2.mol2(FDBF03198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4x60 | GLU320 | -0.04 | -28.12 | -28.16 | 27.84 | -0.31 |
| 4x60 | TYR324 | -0.86 | -0.41 | -1.27 | 0.54 | -0.72 |
| 4x60 | PHE327 | -3.25 | -0.51 | -3.76 | 0.84 | -2.92 |
| 4x60 | TYR334 | -0.24 | -12.47 | -12.71 | 12.20 | -0.51 |
| 4x60 | TRP579 | -1.84 | 0.00 | -1.84 | -0.03 | -1.86 |
