Binding information for 4m3f_ligand_2_7.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_2_7.mol2 | 4m3f | 1 | -6.83 | C(C(C)C)C | 5 |
Structure and binding mode of 4m3f_ligand_2_7.mol2(FDBF00198)
Important binding residues for 4m3f_ligand_2_7.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3f | PHE110 | -1.32 | -0.00 | -1.32 | 0.35 | -0.97 |
| 4m3f | TRP145 | -1.00 | 0.00 | -1 | 0.44 | -0.55 |
| 4m3f | ASN179 | -0.75 | -0.02 | -0.77 | -0.01 | -0.78 |
| 4m3f | GLU180 | -1.06 | 0.04 | -1.02 | 0.36 | -0.65 |
