Binding information for 3hd3_ligand_5_336.mol2(FDBF07592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_5_336.mol2 | 3hd3 | 0.9375 | -5.73 | CCC(CC)/N=C\O | 8 |
Structure and binding mode of 3hd3_ligand_5_336.mol2(FDBF07592)
Important binding residues for 3hd3_ligand_5_336.mol2(FDBF07592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -1.17 | -0.55 | -1.72 | 1.07 | -0.66 |
| 3hd3 | TRP26 | -0.92 | 0.67 | -0.25 | -0.11 | -0.36 |
| 3hd3 | GLY65 | -0.69 | -0.51 | -1.2 | 0.26 | -0.94 |
| 3hd3 | GLY66 | -0.39 | -0.63 | -1.02 | 0.32 | -0.70 |
| 3hd3 | HIS162 | -1.05 | 0.00 | -1.05 | 0.65 | -0.39 |
