Binding information for 1vkj_ligand_2_9.mol2(FDBF00995)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vkj_ligand_2_9.mol2 | 1vkj | 1 | -5.78 | OC[C@H]1OC[C@@H](C1)O | 8 |
Structure and binding mode of 1vkj_ligand_2_9.mol2(FDBF00995)
Important binding residues for 1vkj_ligand_2_9.mol2(FDBF00995)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vkj | GLY70 | -0.13 | -1.12 | -1.25 | 0.79 | -0.47 |
| 1vkj | ARG151 | -1.18 | -0.43 | -1.61 | 1.28 | -0.33 |
| 1vkj | ILE225 | -0.70 | 0.06 | -0.64 | -0.11 | -0.75 |
| 1vkj | PHE258 | -0.72 | 0.09 | -0.63 | 0.02 | -0.62 |
