Binding information for 4dv8_ligand_4_145.mol2(FDBF00175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dv8_ligand_4_145.mol2 | 4dv8 | 1 | -5.67 | CCCCOC | 6 |
Structure and binding mode of 4dv8_ligand_4_145.mol2(FDBF00175)
Important binding residues for 4dv8_ligand_4_145.mol2(FDBF00175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dv8 | SER655 | -0.85 | -0.80 | -1.65 | 1.08 | -0.57 |
| 4dv8 | LYS656 | -1.00 | -1.10 | -2.1 | 0.77 | -1.33 |
| 4dv8 | GLY657 | -0.79 | -0.15 | -0.94 | 0.40 | -0.53 |
| 4dv8 | GLU735 | -0.23 | -0.91 | -1.14 | -0.12 | -1.27 |
