Binding information for 1h07_ligand_1_3.mol2(FDBF01117)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h07_ligand_1_3.mol2 | 1h07 | 0.285714 | -5.24 | [NH3+]CC#N | 4 |
Structure and binding mode of 1h07_ligand_1_3.mol2(FDBF01117)
Important binding residues for 1h07_ligand_1_3.mol2(FDBF01117)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h07 | VAL64 | -0.40 | 0.83 | 0.43 | -0.75 | -0.32 |
| 1h07 | PHE80 | -1.33 | 0.31 | -1.02 | -0.27 | -1.29 |
| 1h07 | ASP145 | -0.45 | -36.48 | -36.93 | 35.59 | -1.33 |
