Binding information for 4tnw_ligand_3_216.mol2(FDBF00104)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tnw_ligand_3_216.mol2 | 4tnw | 1 | -5.93 | CCCC(=O)OC | 7 |
Structure and binding mode of 4tnw_ligand_3_216.mol2(FDBF00104)
Important binding residues for 4tnw_ligand_3_216.mol2(FDBF00104)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tnw | PRO223 | -1.16 | -0.39 | -1.55 | 0.38 | -1.17 |
| 4tnw | THR255 | -0.58 | 0.19 | -0.39 | -0.10 | -0.49 |
| 4tnw | GLN259 | -0.82 | -1.62 | -2.44 | 2.03 | -0.42 |
| 4tnw | MET284 | -1.20 | -0.33 | -1.53 | 0.36 | -1.16 |
| 4tnw | THR285 | -0.94 | -0.01 | -0.95 | 0.34 | -0.61 |
| 4tnw | PHE288 | -0.96 | -0.06 | -1.02 | 0.19 | -0.82 |
