Binding information for 3h3c_ligand_1_5.mol2(FDBF07405)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h3c_ligand_1_5.mol2 | 3h3c | 1 | -5.89 | [NH+](C)(C)C1CCCC1 | 8 |
Structure and binding mode of 3h3c_ligand_1_5.mol2(FDBF07405)
Important binding residues for 3h3c_ligand_1_5.mol2(FDBF07405)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h3c | LEU431 | -0.70 | 0.63 | -0.07 | -0.54 | -0.60 |
| 3h3c | GLY432 | -0.44 | -0.32 | -0.76 | 0.40 | -0.36 |
| 3h3c | VAL439 | -0.72 | 0.36 | -0.36 | -0.29 | -0.65 |
| 3h3c | LEU556 | -0.78 | 0.74 | -0.04 | -0.86 | -0.89 |
