Binding information for 4hmk_ligand_1_1.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hmk_ligand_1_1.mol2 | 4hmk | 1 | -6.53 | CC(C)C | 4 |
Structure and binding mode of 4hmk_ligand_1_1.mol2(FDBF00012)
Important binding residues for 4hmk_ligand_1_1.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hmk | TYR108 | -1.02 | -0.09 | -1.11 | 0.75 | -0.36 |
| 4hmk | PHE253 | -1.29 | -0.02 | -1.31 | 0.86 | -0.45 |
