Binding information for 4o7a_ligand_frag_1.mol2(FDBF06984)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o7a_ligand_frag_1.mol2 | 4o7a | 1 | -5.60 | C1=CC(=O)NC1=O | 7 |
Structure and binding mode of 4o7a_ligand_frag_1.mol2(FDBF06984)
Important binding residues for 4o7a_ligand_frag_1.mol2(FDBF06984)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o7a | TRP81 | -0.81 | 0.24 | -0.57 | -0.10 | -0.67 |
| 4o7a | PRO82 | -1.26 | 0.43 | -0.83 | -0.07 | -0.89 |
| 4o7a | GLN85 | -0.43 | -1.92 | -2.35 | 1.30 | -1.05 |
| 4o7a | LEU92 | -0.74 | 0.01 | -0.73 | -0.06 | -0.79 |
