Binding information for 4wk7_ligand_2_5.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wk7_ligand_2_5.mol2 | 4wk7 | 1 | -5.74 | CNC(=O)C | 5 |
Structure and binding mode of 4wk7_ligand_2_5.mol2(FDBF00027)
Important binding residues for 4wk7_ligand_2_5.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wk7 | THR329 | -1.10 | 0.35 | -0.75 | 0.10 | -0.65 |
| 4wk7 | LEU330 | -0.15 | -3.68 | -3.83 | 1.15 | -2.68 |
| 4wk7 | GLY331 | -0.57 | 0.15 | -0.42 | -0.24 | -0.66 |
| 4wk7 | THR358 | -0.39 | -0.30 | -0.69 | 0.31 | -0.39 |
| 4wk7 | PRO393 | -0.51 | -1.88 | -2.39 | 1.99 | -0.40 |
