Binding information for 4l7u_ligand_1_2.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l7u_ligand_1_2.mol2 | 4l7u | 1 | -5.17 | C(C(=O)OC)NC=O | 8 |
Structure and binding mode of 4l7u_ligand_1_2.mol2(FDBF00139)
Important binding residues for 4l7u_ligand_1_2.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l7u | HIS384 | -0.58 | -2.48 | -3.06 | 1.97 | -1.08 |
| 4l7u | THR386 | -1.07 | -2.09 | -3.16 | 1.53 | -1.63 |
| 4l7u | TYR425 | -0.91 | 0.64 | -0.27 | -0.51 | -0.78 |
