Binding information for 4tnw_ligand_2_34.mol2(FDBF00103)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tnw_ligand_2_34.mol2 | 4tnw | 1 | -5.80 | CC(=O)OCC | 6 |
Structure and binding mode of 4tnw_ligand_2_34.mol2(FDBF00103)
Important binding residues for 4tnw_ligand_2_34.mol2(FDBF00103)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tnw | PRO223 | -1.09 | -0.36 | -1.45 | 0.32 | -1.14 |
| 4tnw | LEU227 | -0.42 | 0.02 | -0.4 | -0.03 | -0.44 |
| 4tnw | THR255 | -0.42 | 0.15 | -0.27 | -0.10 | -0.37 |
| 4tnw | GLY281 | -0.61 | -0.06 | -0.67 | 0.29 | -0.38 |
| 4tnw | MET284 | -1.02 | -0.29 | -1.31 | 0.28 | -1.03 |
