Binding information for 1hbv_ligand_1_10.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hbv_ligand_1_10.mol2 | 1hbv | 1 | -5.18 | C(C(=O)OC)NC=O | 8 |
Structure and binding mode of 1hbv_ligand_1_10.mol2(FDBF00139)
Important binding residues for 1hbv_ligand_1_10.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hbv | GLY27 | -0.38 | -1.28 | -1.66 | 1.24 | -0.43 |
| 1hbv | ALA28 | -0.95 | -1.11 | -2.06 | 0.47 | -1.59 |
| 1hbv | ASP30 | -0.70 | 1.59 | 0.89 | -1.23 | -0.34 |
| 1hbv | ILE47 | -1.03 | 0.19 | -0.84 | -0.29 | -1.12 |
| 1hbv | GLY49 | -0.48 | -1.52 | -2 | 1.13 | -0.87 |
| 1hbv | ILE50 | -0.33 | -0.01 | -0.34 | -0.04 | -0.39 |
