Binding information for 4fbe_ligand_1_3.mol2(FDBF00490)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fbe_ligand_1_3.mol2 | 4fbe | 1 | -5.92 | c1c[n+](c[nH]1)C | 6 |
Structure and binding mode of 4fbe_ligand_1_3.mol2(FDBF00490)
Important binding residues for 4fbe_ligand_1_3.mol2(FDBF00490)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fbe | ASP153 | -0.75 | 8.08 | 7.33 | -10.39 | -3.06 |
| 4fbe | GLU191 | -0.76 | 4.33 | 3.57 | -7.63 | -4.06 |
| 4fbe | TRP196 | -1.09 | -1.67 | -2.76 | 1.90 | -0.87 |
| 4fbe | LEU229 | -0.58 | 0.30 | -0.28 | -0.25 | -0.53 |
| 4fbe | TRP317 | -1.18 | -2.55 | -3.73 | 2.83 | -0.89 |
