Binding information for 4tnw_ligand_3_158.mol2(FDBF00192)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tnw_ligand_3_158.mol2 | 4tnw | 0.727273 | -5.99 | CCC(=O)OCC | 7 |
Structure and binding mode of 4tnw_ligand_3_158.mol2(FDBF00192)
Important binding residues for 4tnw_ligand_3_158.mol2(FDBF00192)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tnw | PRO223 | -1.17 | -0.37 | -1.54 | 0.36 | -1.19 |
| 4tnw | LEU227 | -0.60 | -0.00 | -0.6 | -0.02 | -0.62 |
| 4tnw | THR255 | -0.53 | 0.18 | -0.35 | -0.09 | -0.45 |
| 4tnw | GLN259 | -1.02 | -1.83 | -2.85 | 2.54 | -0.31 |
| 4tnw | GLY281 | -0.64 | -0.08 | -0.72 | 0.32 | -0.40 |
| 4tnw | MET284 | -1.31 | -0.33 | -1.64 | 0.42 | -1.22 |
| 4tnw | THR285 | -0.72 | 0.01 | -0.71 | 0.25 | -0.46 |
| 4tnw | PHE288 | -0.50 | -0.06 | -0.56 | 0.12 | -0.44 |
