Binding information for 2o4k_ligand_1_1.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4k_ligand_1_1.mol2 | 2o4k | 1 | -6.41 | C(C)(C)(C)C | 5 |
Structure and binding mode of 2o4k_ligand_1_1.mol2(FDBF00012)
Important binding residues for 2o4k_ligand_1_1.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4k | ALA28 | -0.52 | 0.00 | -0.52 | 0.09 | -0.43 |
| 2o4k | VAL32 | -0.59 | -0.08 | -0.67 | 0.36 | -0.31 |
| 2o4k | ILE47 | -0.92 | 0.01 | -0.91 | -0.01 | -0.92 |
| 2o4k | ILE84 | -0.51 | 0.01 | -0.5 | -0.04 | -0.55 |
