Binding information for 4euo_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4euo_ligand_frag_2.mol2 | 4euo | 1 | -6.04 | CC(=O)O | 4 |
Structure and binding mode of 4euo_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 4euo_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4euo | TRP30 | -0.59 | 0.10 | -0.49 | 0.08 | -0.41 |
| 4euo | THR34 | 0.21 | -11.56 | -11.35 | 9.03 | -2.32 |
| 4euo | TRP222 | -1.27 | 1.10 | -0.17 | -0.35 | -0.52 |
| 4euo | GLY224 | -0.09 | -2.06 | -2.15 | 1.67 | -0.47 |
| 4euo | ARG225 | 0.12 | -55.56 | -55.44 | 42.71 | -12.73 |
| 4euo | TYR284 | 0.48 | 5.15 | 5.63 | -7.16 | -1.53 |
