Binding information for 3acx_ligand_2_15.mol2(FDBF00243)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3acx_ligand_2_15.mol2 | 3acx | 1 | -6.07 | C(C)(C)[NH2+]CC | 6 |
Structure and binding mode of 3acx_ligand_2_15.mol2(FDBF00243)
Important binding residues for 3acx_ligand_2_15.mol2(FDBF00243)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3acx | TYR41 | -1.58 | -0.97 | -2.55 | 1.42 | -1.13 |
| 3acx | ARG45 | -1.02 | 19.47 | 18.45 | -19.18 | -0.74 |
| 3acx | ALA134 | -0.52 | -0.42 | -0.94 | 0.46 | -0.49 |
| 3acx | VAL137 | -0.66 | 1.81 | 1.15 | -1.62 | -0.47 |
