Binding information for 1hrn_ligand_3_409.mol2(FDBF06794)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hrn_ligand_3_409.mol2 | 1hrn | 1 | -5.78 | C(O)[C@H](O)CC | 6 |
Structure and binding mode of 1hrn_ligand_3_409.mol2(FDBF06794)
Important binding residues for 1hrn_ligand_3_409.mol2(FDBF06794)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hrn | GLY34 | -0.59 | -0.97 | -1.56 | -0.05 | -1.62 |
| 1hrn | TYR75 | -1.47 | -0.81 | -2.28 | 0.22 | -2.06 |
| 1hrn | SER76 | -0.64 | -3.04 | -3.68 | 3.02 | -0.66 |
| 1hrn | GLY217 | -0.78 | -0.10 | -0.88 | -0.19 | -1.07 |
