Binding information for 1mh5_ligand_3_121.mol2(FDBF03090)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mh5_ligand_3_121.mol2 | 1mh5 | 1 | -5.52 | OCC(=O)NC | 6 |
Structure and binding mode of 1mh5_ligand_3_121.mol2(FDBF03090)
Important binding residues for 1mh5_ligand_3_121.mol2(FDBF03090)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mh5 | PHE96 | -1.15 | -0.00 | -1.15 | 0.21 | -0.94 |
| 1mh5 | TRP33 | -1.74 | -0.10 | -1.84 | 0.23 | -1.61 |
| 1mh5 | LYS95 | -1.33 | 0.62 | -0.71 | 0.23 | -0.47 |
