Binding information for 4u5s_ligand_6_26233.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5s_ligand_6_26233.mol2 | 4u5s | 0.884615 | -5.27 | C[C@H](NC(=O)C)COC | 9 |
Structure and binding mode of 4u5s_ligand_6_26233.mol2(FDBF01215)
Important binding residues for 4u5s_ligand_6_26233.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u5s | THR322 | -0.61 | 0.19 | -0.42 | -0.02 | -0.45 |
| 4u5s | TRP399 | -0.79 | 0.17 | -0.62 | 0.03 | -0.59 |
