Binding information for 1h3a_ligand_1_0.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h3a_ligand_1_0.mol2 | 1h3a | 1 | -5.78 | CC=C | 3 |
Structure and binding mode of 1h3a_ligand_1_0.mol2(FDBF00022)
Important binding residues for 1h3a_ligand_1_0.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h3a | PHE365 | -0.60 | 0.05 | -0.55 | 0.02 | -0.54 |
| 1h3a | TRP489 | -0.58 | 0.05 | -0.53 | 0.14 | -0.39 |
