Binding information for 3ixk_ligand_4_3188.mol2(FDBF01157)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ixk_ligand_4_3188.mol2 | 3ixk | 1 | -6.24 | CC[C@H](CCC)O | 7 |
Structure and binding mode of 3ixk_ligand_4_3188.mol2(FDBF01157)
Important binding residues for 3ixk_ligand_4_3188.mol2(FDBF01157)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ixk | GLY82 | -0.76 | -0.21 | -0.97 | 0.10 | -0.87 |
| 3ixk | SER83 | -0.42 | -0.03 | -0.45 | 0.09 | -0.36 |
| 3ixk | ILE166 | -0.35 | -0.05 | -0.4 | -0.01 | -0.41 |
| 3ixk | GLY278 | -0.84 | -0.32 | -1.16 | -0.92 | -2.07 |
