Binding information for 4m3e_ligand_2_8.mol2(FDBF00028)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3e_ligand_2_8.mol2 | 4m3e | 1 | -5.97 | CCNC=O | 5 |
Structure and binding mode of 4m3e_ligand_2_8.mol2(FDBF00028)
Important binding residues for 4m3e_ligand_2_8.mol2(FDBF00028)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3e | ILE107 | -0.35 | 0.25 | -0.1 | -0.21 | -0.31 |
| 4m3e | PHE110 | -1.58 | -0.66 | -2.24 | 0.76 | -1.48 |
| 4m3e | ASN176 | -1.29 | -2.29 | -3.58 | 2.61 | -0.97 |
| 4m3e | ASN179 | 0.55 | -5.21 | -4.66 | 1.66 | -3.00 |
| 4m3e | GLU180 | -0.54 | -0.22 | -0.76 | 0.44 | -0.32 |
| 4m3e | TRP207 | -0.48 | 0.12 | -0.36 | -0.05 | -0.41 |
