Binding information for 4tv3_ligand_2_13.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tv3_ligand_2_13.mol2 | 4tv3 | 0.653846 | -5.92 | C1CC(CCC1)OC | 8 |
Structure and binding mode of 4tv3_ligand_2_13.mol2(FDBF00747)
Important binding residues for 4tv3_ligand_2_13.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tv3 | THR856 | -0.59 | 0.39 | -0.2 | -0.28 | -0.48 |
| 4tv3 | GLN859 | -0.80 | -0.56 | -1.36 | 0.77 | -0.59 |
| 4tv3 | MET922 | -0.68 | -0.14 | -0.82 | 0.20 | -0.61 |
| 4tv3 | ILE932 | -0.40 | 0.03 | -0.37 | -0.14 | -0.50 |
