Binding information for 4man_ligand_1_9.mol2(FDBF00255)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4man_ligand_1_9.mol2 | 4man | 0.777778 | -5.82 | CC1CCOCC1 | 7 |
Structure and binding mode of 4man_ligand_1_9.mol2(FDBF00255)
Important binding residues for 4man_ligand_1_9.mol2(FDBF00255)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4man | THR93 | -0.42 | -0.15 | -0.57 | 0.21 | -0.37 |
| 4man | GLN96 | -1.19 | -0.38 | -1.57 | 0.87 | -0.70 |
| 4man | ALA97 | -1.08 | 0.03 | -1.05 | -0.06 | -1.11 |
