Binding information for 1h3a_ligand_3_46.mol2(FDBF05813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h3a_ligand_3_46.mol2 | 1h3a | 0.666667 | -5.79 | C/C=C/CO | 5 |
Structure and binding mode of 1h3a_ligand_3_46.mol2(FDBF05813)
Important binding residues for 1h3a_ligand_3_46.mol2(FDBF05813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h3a | TRP489 | -1.01 | -0.06 | -1.07 | 0.42 | -0.65 |
| 1h3a | LEU607 | -0.30 | -0.08 | -0.38 | 0.05 | -0.34 |
