Binding information for 3hd3_ligand_4_260.mol2(FDBF07592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_4_260.mol2 | 3hd3 | 1 | -5.64 | C[C@H](CC)/N=C\O | 7 |
Structure and binding mode of 3hd3_ligand_4_260.mol2(FDBF07592)
Important binding residues for 3hd3_ligand_4_260.mol2(FDBF07592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -1.12 | -0.50 | -1.62 | 1.07 | -0.55 |
| 3hd3 | TRP26 | -0.90 | 0.71 | -0.19 | -0.15 | -0.34 |
| 3hd3 | GLY65 | -0.68 | -0.47 | -1.15 | 0.27 | -0.89 |
| 3hd3 | GLY66 | -0.39 | -0.61 | -1 | 0.30 | -0.69 |
| 3hd3 | HIS162 | -0.94 | 0.03 | -0.91 | 0.24 | -0.67 |
