Binding information for 1jq9_ligand_1_18.mol2(FDBF01314)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jq9_ligand_1_18.mol2 | 1jq9 | 0.428571 | -5.20 | C(=C)N | 3 |
Structure and binding mode of 1jq9_ligand_1_18.mol2(FDBF01314)
Important binding residues for 1jq9_ligand_1_18.mol2(FDBF01314)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jq9 | CYS29 | -0.34 | -0.57 | -0.91 | 0.32 | -0.59 |
| 1jq9 | TRP31 | -0.68 | -0.48 | -1.16 | 0.78 | -0.38 |
| 1jq9 | CYS45 | -0.29 | -0.27 | -0.56 | 0.16 | -0.40 |
