Binding information for 1gui_ligand_frag_8.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gui_ligand_frag_8.mol2 | 1gui | 1 | -5.81 | [C@H]1(C[C@@H](COC1)O)O | 8 |
Structure and binding mode of 1gui_ligand_frag_8.mol2(FDBF00639)
Important binding residues for 1gui_ligand_frag_8.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gui | TRP61 | -2.38 | 0.04 | -2.34 | 0.41 | -1.93 |
| 1gui | LEU96 | -0.53 | 0.39 | -0.14 | -0.31 | -0.45 |
| 1gui | TRP102 | -2.40 | -0.68 | -3.08 | 0.93 | -2.15 |
