Binding information for 1ikt_ligand_2_0.mol2(FDBF00124)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_2_0.mol2 | 1ikt | 1 | -6.97 | C(C)(C)CC(C)(C)C | 8 |
Structure and binding mode of 1ikt_ligand_2_0.mol2(FDBF00124)
Important binding residues for 1ikt_ligand_2_0.mol2(FDBF00124)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ikt | ILE15 | -0.43 | 0.01 | -0.42 | 0.08 | -0.34 |
| 1ikt | PHE79 | -0.62 | 0.01 | -0.61 | 0.27 | -0.34 |
| 1ikt | VAL82 | -0.78 | -0.00 | -0.78 | -0.05 | -0.83 |
| 1ikt | VAL83 | -1.19 | -0.01 | -1.2 | 0.05 | -1.15 |
| 1ikt | LEU110 | -0.55 | -0.01 | -0.56 | 0.03 | -0.53 |
| 1ikt | LEU114 | -1.29 | 0.01 | -1.28 | 0.01 | -1.27 |
