Binding information for 2rg5_ligand_1_4.mol2(FDBF00159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rg5_ligand_1_4.mol2 | 2rg5 | 0.6 | -5.50 | O(C)NC=O | 5 |
Structure and binding mode of 2rg5_ligand_1_4.mol2(FDBF00159)
Important binding residues for 2rg5_ligand_1_4.mol2(FDBF00159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rg5 | GLU71 | -0.83 | -6.69 | -7.52 | 6.65 | -0.87 |
| 2rg5 | LEU75 | -0.75 | 0.29 | -0.46 | -0.25 | -0.70 |
| 2rg5 | LEU167 | -0.62 | -1.64 | -2.26 | 0.51 | -1.76 |
| 2rg5 | ASP168 | -1.11 | 0.71 | -0.4 | -0.84 | -1.24 |
| 2rg5 | PHE169 | -1.06 | -0.88 | -1.94 | 1.40 | -0.53 |
| 2rg5 | LEU171 | -0.43 | -0.20 | -0.63 | 0.16 | -0.48 |
