Binding information for 4m3f_ligand_1_3.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_3.mol2 | 4m3f | 1 | -6.56 | CC(C)C | 4 |
Structure and binding mode of 4m3f_ligand_1_3.mol2(FDBF00012)
Important binding residues for 4m3f_ligand_1_3.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3f | PHE110 | -0.95 | 0.00 | -0.95 | 0.22 | -0.74 |
| 4m3f | TRP145 | -0.68 | 0.02 | -0.66 | 0.31 | -0.35 |
| 4m3f | ASN179 | -0.66 | 0.01 | -0.65 | -0.02 | -0.67 |
| 4m3f | GLU180 | -0.94 | -0.10 | -1.04 | 0.45 | -0.60 |
