Binding information for 1bma_ligand_3_10.mol2(FDBF04541)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bma_ligand_3_10.mol2 | 1bma | 0.894737 | -6.11 | CCNC(=O)C(F)(F)F | 9 |
Structure and binding mode of 1bma_ligand_3_10.mol2(FDBF04541)
Important binding residues for 1bma_ligand_3_10.mol2(FDBF04541)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bma | GLN200 | -0.78 | -1.60 | -2.38 | 1.55 | -0.83 |
| 1bma | ASP202 | -0.44 | 1.43 | 0.99 | -1.33 | -0.34 |
| 1bma | THR221 | -0.37 | -0.40 | -0.77 | 0.42 | -0.34 |
| 1bma | SER222 | -0.69 | -3.16 | -3.85 | 2.82 | -1.04 |
| 1bma | PHE223 | -1.30 | 0.59 | -0.71 | 0.32 | -0.39 |
| 1bma | VAL224 | -0.85 | -0.34 | -1.19 | 0.42 | -0.78 |
