Binding information for 4l7u_ligand_3_10.mol2(FDBF07649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l7u_ligand_3_10.mol2 | 4l7u | 0.622642 | -5.80 | C[C@@H](C(=O)OC)NC(=O)C | 10 |
Structure and binding mode of 4l7u_ligand_3_10.mol2(FDBF07649)
Important binding residues for 4l7u_ligand_3_10.mol2(FDBF07649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l7u | VAL288 | -0.50 | 0.24 | -0.26 | -0.14 | -0.40 |
| 4l7u | HIS384 | -0.86 | -2.62 | -3.48 | 2.42 | -1.06 |
| 4l7u | THR386 | -1.17 | -2.35 | -3.52 | 1.79 | -1.73 |
| 4l7u | TYR425 | -1.17 | 0.68 | -0.49 | -0.53 | -1.02 |
