Binding information for 1m7d_ligand_1_2.mol2(FDBF07462)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m7d_ligand_1_2.mol2 | 1m7d | 0.75 | -5.78 | O(C)[C@H]1CC[C@@H](CO1)O | 9 |
Structure and binding mode of 1m7d_ligand_1_2.mol2(FDBF07462)
Important binding residues for 1m7d_ligand_1_2.mol2(FDBF07462)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m7d | THR91 | -1.08 | -0.48 | -1.56 | 1.16 | -0.40 |
| 1m7d | VAL94 | -0.62 | -0.11 | -0.73 | -0.13 | -0.85 |
| 1m7d | PRO95 | -0.86 | -0.08 | -0.94 | 0.31 | -0.64 |
| 1m7d | TRP33 | -0.57 | 0.11 | -0.46 | 0.03 | -0.44 |
