Binding information for 4tmn_ligand_2_50.mol2(FDBF01132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tmn_ligand_2_50.mol2 | 4tmn | 1 | -5.71 | C(=O)(O)NCC | 6 |
Structure and binding mode of 4tmn_ligand_2_50.mol2(FDBF01132)
Important binding residues for 4tmn_ligand_2_50.mol2(FDBF01132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tmn | PHE114 | -0.66 | -6.61 | -7.27 | 3.42 | -3.85 |
| 4tmn | TRP115 | -0.58 | -0.19 | -0.77 | -1.68 | -2.45 |
| 4tmn | HIS146 | -0.98 | 0.51 | -0.47 | 0.08 | -0.38 |
| 4tmn | GLU166 | -0.24 | 43.98 | 43.74 | -44.37 | -0.63 |
