Binding information for 2o4k_ligand_4_455.mol2(FDBF02005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4k_ligand_4_455.mol2 | 2o4k | 1 | -6.83 | C(C)(C)(C)CC(=O)NCC | 10 |
Structure and binding mode of 2o4k_ligand_4_455.mol2(FDBF02005)
Important binding residues for 2o4k_ligand_4_455.mol2(FDBF02005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4k | ILE50 | -0.50 | -1.13 | -1.63 | 0.85 | -0.78 |
| 2o4k | ILE84 | -0.36 | 0.09 | -0.27 | -0.17 | -0.44 |
| 2o4k | GLY27 | -0.90 | -1.43 | -2.33 | 1.55 | -0.79 |
| 2o4k | VAL32 | -0.62 | -0.05 | -0.67 | 0.35 | -0.32 |
| 2o4k | ILE47 | -0.93 | 0.14 | -0.79 | -0.10 | -0.89 |
| 2o4k | GLY49 | -0.75 | -1.68 | -2.43 | 1.18 | -1.26 |
| 2o4k | ILE50 | -0.42 | 0.14 | -0.28 | -0.10 | -0.38 |
| 2o4k | ILE84 | -0.60 | 0.05 | -0.55 | -0.07 | -0.62 |
