Binding information for 3h3c_ligand_1_4.mol2(FDBF07402)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h3c_ligand_1_4.mol2 | 3h3c | 1 | -5.79 | C1(CCCC1)[NH3+] | 6 |
Structure and binding mode of 3h3c_ligand_1_4.mol2(FDBF07402)
Important binding residues for 3h3c_ligand_1_4.mol2(FDBF07402)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h3c | LEU431 | -0.72 | 1.21 | 0.49 | -1.02 | -0.53 |
| 3h3c | GLY432 | -0.42 | -0.94 | -1.36 | 1.00 | -0.37 |
| 3h3c | VAL439 | -0.77 | 0.87 | 0.1 | -0.63 | -0.52 |
| 3h3c | GLU441 | -0.03 | -29.54 | -29.57 | 29.21 | -0.36 |
| 3h3c | LEU556 | -0.53 | 1.53 | 1 | -1.37 | -0.37 |
| 3h3c | ASP567 | -0.15 | -28.86 | -29.01 | 28.60 | -0.41 |
