Binding information for 1bma_ligand_1_0.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bma_ligand_1_0.mol2 | 1bma | 1 | -5.80 | C(F)(F)(F)C(=O)N | 7 |
Structure and binding mode of 1bma_ligand_1_0.mol2(FDBF00844)
Important binding residues for 1bma_ligand_1_0.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bma | GLN200 | -0.68 | -1.44 | -2.12 | 1.41 | -0.71 |
| 1bma | ASP202 | -0.43 | 1.27 | 0.84 | -1.17 | -0.32 |
| 1bma | SER222 | -0.57 | -3.31 | -3.88 | 2.52 | -1.35 |
| 1bma | VAL224 | -0.66 | -0.29 | -0.95 | 0.29 | -0.67 |
