Binding information for 4tmn_ligand_3_150.mol2(FDBF05635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tmn_ligand_3_150.mol2 | 4tmn | 0.533333 | -5.77 | COC(=O)NCC | 7 |
Structure and binding mode of 4tmn_ligand_3_150.mol2(FDBF05635)
Important binding residues for 4tmn_ligand_3_150.mol2(FDBF05635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tmn | PHE114 | -0.69 | -2.42 | -3.11 | 0.63 | -2.48 |
| 4tmn | TRP115 | -0.98 | -1.32 | -2.3 | 0.38 | -1.91 |
| 4tmn | HIS146 | -0.99 | -1.00 | -1.99 | 0.99 | -1.01 |
| 4tmn | TYR157 | -1.44 | -0.18 | -1.62 | 0.33 | -1.29 |
| 4tmn | GLU166 | -0.28 | -0.61 | -0.89 | -0.75 | -1.64 |
