Binding information for 2o4k_ligand_1_12.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4k_ligand_1_12.mol2 | 2o4k | 1 | -6.40 | CC(C)(C)C | 5 |
Structure and binding mode of 2o4k_ligand_1_12.mol2(FDBF00012)
Important binding residues for 2o4k_ligand_1_12.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4k | ALA28 | -0.53 | 0.00 | -0.53 | 0.08 | -0.44 |
| 2o4k | ILE47 | -0.86 | 0.01 | -0.85 | -0.04 | -0.89 |
| 2o4k | ILE84 | -0.53 | 0.00 | -0.53 | -0.06 | -0.59 |
| 2o4k | ILE50 | -0.40 | 0.00 | -0.4 | -0.00 | -0.41 |
