Binding information for 4m3d_ligand_1_5.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3d_ligand_1_5.mol2 | 4m3d | 1 | -5.58 | C(=O)NC | 4 |
Structure and binding mode of 4m3d_ligand_1_5.mol2(FDBF00024)
Important binding residues for 4m3d_ligand_1_5.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3d | ILE107 | -0.31 | 0.15 | -0.16 | -0.16 | -0.33 |
| 4m3d | PHE110 | -1.21 | -0.51 | -1.72 | 0.58 | -1.15 |
| 4m3d | ASN176 | -1.10 | -2.60 | -3.7 | 2.75 | -0.94 |
| 4m3d | ASN179 | -0.16 | -4.88 | -5.04 | 1.88 | -3.16 |
| 4m3d | TRP207 | -0.43 | 0.15 | -0.28 | -0.09 | -0.37 |
