Binding information for 3hd3_ligand_3_130.mol2(FDBF07592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_3_130.mol2 | 3hd3 | 0.933333 | -5.42 | N(=C\O)\CCC | 6 |
Structure and binding mode of 3hd3_ligand_3_130.mol2(FDBF07592)
Important binding residues for 3hd3_ligand_3_130.mol2(FDBF07592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -0.82 | -0.75 | -1.57 | 0.99 | -0.58 |
| 3hd3 | GLY65 | -0.66 | -0.41 | -1.07 | 0.21 | -0.86 |
| 3hd3 | GLY66 | -0.38 | -0.64 | -1.02 | 0.31 | -0.71 |
| 3hd3 | HIS162 | -0.61 | 0.11 | -0.5 | 0.16 | -0.34 |
