Binding information for 4tnw_ligand_1_3.mol2(FDBF00100)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tnw_ligand_1_3.mol2 | 4tnw | 1 | -5.42 | C(OC=O)C | 5 |
Structure and binding mode of 4tnw_ligand_1_3.mol2(FDBF00100)
Important binding residues for 4tnw_ligand_1_3.mol2(FDBF00100)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tnw | PRO223 | -0.74 | -0.21 | -0.95 | 0.11 | -0.84 |
| 4tnw | THR255 | -0.33 | 0.09 | -0.24 | -0.09 | -0.33 |
| 4tnw | GLY281 | -0.57 | -0.00 | -0.57 | 0.24 | -0.34 |
| 4tnw | MET284 | -0.86 | -0.25 | -1.11 | 0.12 | -0.99 |
