Binding information for 1h07_ligand_frag_3.mol2(FDBF06815)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h07_ligand_frag_3.mol2 | 1h07 | 0.428571 | -5.50 | C(#N)C | 3 |
Structure and binding mode of 1h07_ligand_frag_3.mol2(FDBF06815)
Important binding residues for 1h07_ligand_frag_3.mol2(FDBF06815)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h07 | VAL64 | -0.38 | 0.08 | -0.3 | -0.23 | -0.52 |
| 1h07 | PHE80 | -1.32 | 0.52 | -0.8 | -0.03 | -0.82 |
| 1h07 | ALA144 | -0.24 | -1.19 | -1.43 | 0.56 | -0.86 |
