Binding information for 3hd3_ligand_3_109.mol2(FDBF07659)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_3_109.mol2 | 3hd3 | 0.647059 | -5.61 | CC(/N=C\O)C | 6 |
Structure and binding mode of 3hd3_ligand_3_109.mol2(FDBF07659)
Important binding residues for 3hd3_ligand_3_109.mol2(FDBF07659)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -0.89 | -0.58 | -1.47 | 1.04 | -0.43 |
| 3hd3 | GLY65 | -0.49 | -0.43 | -0.92 | 0.21 | -0.72 |
| 3hd3 | GLY66 | -0.36 | -0.61 | -0.97 | 0.30 | -0.67 |
| 3hd3 | HIS162 | -0.91 | 0.06 | -0.85 | 0.20 | -0.65 |
