Binding information for 3hd3_ligand_1_5.mol2(FDBF05450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_1_5.mol2 | 3hd3 | 0.461538 | -5.22 | N(=C\O)\C | 4 |
Structure and binding mode of 3hd3_ligand_1_5.mol2(FDBF05450)
Important binding residues for 3hd3_ligand_1_5.mol2(FDBF05450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -0.40 | -0.88 | -1.28 | 0.96 | -0.33 |
| 3hd3 | GLY65 | -0.36 | -0.29 | -0.65 | 0.03 | -0.61 |
| 3hd3 | GLY66 | -0.32 | -0.64 | -0.96 | 0.30 | -0.66 |
| 3hd3 | HIS162 | -0.53 | 0.12 | -0.41 | 0.10 | -0.32 |
