Binding information for 4mm9_ligand_1_6.mol2(FDBF00178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_1_6.mol2 | 4mm9 | 1 | -5.13 | O[NH2+]C | 3 |
Structure and binding mode of 4mm9_ligand_1_6.mol2(FDBF00178)
Important binding residues for 4mm9_ligand_1_6.mol2(FDBF00178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.17 | -0.27 | -1.44 | 0.90 | -0.54 |
| 4mm9 | PHE259 | -0.43 | -0.10 | -0.53 | 0.15 | -0.37 |
| 4mm9 | SER355 | -0.26 | -0.38 | -0.64 | 0.30 | -0.34 |
