Binding information for 3ap7_ligand_frag_0.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ap7_ligand_frag_0.mol2 | 3ap7 | 1 | -5.71 | C1[C@@H](C[C@H](CO1)O)O | 8 |
Structure and binding mode of 3ap7_ligand_frag_0.mol2(FDBF00639)
Important binding residues for 3ap7_ligand_frag_0.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ap7 | ARG45 | -0.68 | -8.05 | -8.73 | 7.84 | -0.89 |
| 3ap7 | HIS65 | -0.18 | -2.97 | -3.15 | 1.98 | -1.17 |
| 3ap7 | ARG69 | -0.85 | -1.03 | -1.88 | 1.50 | -0.38 |
| 3ap7 | TRP86 | -1.87 | -0.14 | -2.01 | 0.39 | -1.61 |
