Binding information for 4m3b_ligand_2_4.mol2(FDBF07653)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_2_4.mol2 | 4m3b | 0.642857 | -6.02 | C(NC=O)C | 5 |
Structure and binding mode of 4m3b_ligand_2_4.mol2(FDBF07653)
Important binding residues for 4m3b_ligand_2_4.mol2(FDBF07653)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3b | ILE107 | -0.32 | 0.17 | -0.15 | -0.19 | -0.34 |
| 4m3b | PHE110 | -1.66 | -0.57 | -2.23 | 0.79 | -1.44 |
| 4m3b | TRP145 | -0.73 | 0.12 | -0.61 | 0.23 | -0.39 |
| 4m3b | ASN176 | -1.23 | -2.75 | -3.98 | 2.85 | -1.13 |
| 4m3b | ASN179 | -0.21 | -4.82 | -5.03 | 1.83 | -3.20 |
| 4m3b | TRP207 | -0.44 | 0.15 | -0.29 | -0.06 | -0.35 |
