Binding information for 4rpo_ligand.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rpo_ligand.mol2 | 4rpo | 1 | -7.58 | Clc1c(c(Cl)cc(c1)Cl)O | 11 |
Structure and binding mode of 4rpo_ligand.mol2(FDBF03634)
Important binding residues for 4rpo_ligand.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rpo | ALA103 | -0.22 | 0.45 | 0.23 | -0.59 | -0.36 |
| 4rpo | PHE106 | -1.17 | -0.30 | -1.47 | 0.19 | -1.29 |
| 4rpo | GLY107 | -0.83 | 0.33 | -0.5 | -0.44 | -0.94 |
| 4rpo | LEU110 | -0.75 | 0.07 | -0.68 | -0.12 | -0.79 |
| 4rpo | PHE151 | -0.99 | -0.45 | -1.44 | 0.77 | -0.67 |
| 4rpo | GLY152 | -0.42 | -0.13 | -0.55 | 0.16 | -0.39 |
| 4rpo | HIS206 | 0.01 | -2.85 | -2.84 | 1.49 | -1.34 |
| 4rpo | ARG250 | -0.52 | -0.12 | -0.64 | 0.02 | -0.62 |
| 4rpo | VAL275 | -1.22 | 0.08 | -1.14 | -0.13 | -1.27 |
