Binding information for 1bma_ligand_3_185.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bma_ligand_3_185.mol2 | 1bma | 0.363636 | -5.40 | C[N+](C)(NC=O)C | 7 |
Structure and binding mode of 1bma_ligand_3_185.mol2(FDBF01907)
Important binding residues for 1bma_ligand_3_185.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bma | PHE223 | -0.70 | 0.80 | 0.1 | -1.54 | -1.45 |
| 1bma | VAL224 | -1.13 | -2.67 | -3.8 | 2.18 | -1.62 |
