Binding information for 3fx6_ligand_frag_4.mol2(FDBF07096)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fx6_ligand_frag_4.mol2 | 3fx6 | 1 | -5.35 | CN(=O)=O | 4 |
Structure and binding mode of 3fx6_ligand_frag_4.mol2(FDBF07096)
Important binding residues for 3fx6_ligand_frag_4.mol2(FDBF07096)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fx6 | HIS69 | -0.41 | -0.42 | -0.83 | -0.28 | -1.11 |
| 3fx6 | GLU72 | 0.06 | -2.33 | -2.27 | 1.00 | -1.27 |
| 3fx6 | HIS196 | -0.14 | -0.02 | -0.16 | -0.40 | -0.56 |
