Binding information for 3f6e_ligand_4_263.mol2(FDBF00112)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f6e_ligand_4_263.mol2 | 3f6e | 1 | -6.33 | C(CO)c1sc[n+](C)c1C | 10 |
Structure and binding mode of 3f6e_ligand_4_263.mol2(FDBF00112)
Important binding residues for 3f6e_ligand_4_263.mol2(FDBF00112)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f6e | HIS70 | -0.79 | -0.05 | -0.84 | 0.00 | -0.84 |
