Binding information for 3m8q_ligand_1_4.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m8q_ligand_1_4.mol2 | 3m8q | 1 | -6.30 | C[NH+]1CCCCC1 | 7 |
Structure and binding mode of 3m8q_ligand_1_4.mol2(FDBF00663)
Important binding residues for 3m8q_ligand_1_4.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m8q | LEU100 | -0.71 | 1.34 | 0.63 | -1.05 | -0.42 |
| 3m8q | LYS103 | -1.06 | 18.01 | 16.95 | -17.30 | -0.34 |
| 3m8q | LEU234 | -1.13 | 1.36 | 0.23 | -0.93 | -0.69 |
| 3m8q | TYR318 | -1.50 | 17.64 | 16.14 | -17.91 | -1.78 |
