Binding information for 3hd3_ligand_4_204.mol2(FDBF07661)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_4_204.mol2 | 3hd3 | 0.681818 | -5.59 | CC[C@H](C)/N=C\O | 7 |
Structure and binding mode of 3hd3_ligand_4_204.mol2(FDBF07661)
Important binding residues for 3hd3_ligand_4_204.mol2(FDBF07661)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLY23 | -0.95 | -0.61 | -1.56 | 1.01 | -0.56 |
| 3hd3 | TRP26 | -0.88 | 0.70 | -0.18 | -0.14 | -0.32 |
| 3hd3 | GLY65 | -0.50 | -0.47 | -0.97 | 0.19 | -0.78 |
| 3hd3 | GLY66 | -0.36 | -0.62 | -0.98 | 0.31 | -0.67 |
| 3hd3 | HIS162 | -1.02 | -0.01 | -1.03 | 0.65 | -0.37 |
