Binding information for 3acx_ligand_2_11.mol2(FDBF00415)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3acx_ligand_2_11.mol2 | 3acx | 1 | -6.78 | Cc1c(cccc1)O | 8 |
Structure and binding mode of 3acx_ligand_2_11.mol2(FDBF00415)
Important binding residues for 3acx_ligand_2_11.mol2(FDBF00415)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3acx | PHE22 | -0.83 | 0.01 | -0.82 | 0.26 | -0.57 |
| 3acx | VAL137 | -1.57 | -0.16 | -1.73 | -0.67 | -2.41 |
| 3acx | GLY138 | -0.71 | 0.38 | -0.33 | -0.20 | -0.53 |
| 3acx | LEU141 | -0.83 | -0.13 | -0.96 | 0.02 | -0.94 |
| 3acx | LEU160 | -0.56 | 0.20 | -0.36 | -0.35 | -0.71 |
| 3acx | GLY161 | -0.58 | 0.16 | -0.42 | -0.11 | -0.53 |
| 3acx | LEU164 | -0.98 | 0.01 | -0.97 | -0.22 | -1.20 |
