Binding information for 4m3e_ligand_1_2.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3e_ligand_1_2.mol2 | 4m3e | 1 | -5.55 | N(C=O)C | 4 |
Structure and binding mode of 4m3e_ligand_1_2.mol2(FDBF00024)
Important binding residues for 4m3e_ligand_1_2.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3e | PHE110 | -1.23 | -0.67 | -1.9 | 0.63 | -1.27 |
| 4m3e | ASN176 | -1.05 | -2.30 | -3.35 | 2.57 | -0.77 |
| 4m3e | ASN179 | 0.56 | -5.27 | -4.71 | 1.66 | -3.05 |
| 4m3e | TRP207 | -0.47 | 0.12 | -0.35 | -0.06 | -0.41 |
