Binding information for 4mm9_ligand_2_39.mol2(FDBF00163)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_2_39.mol2 | 4mm9 | 0.6 | -5.23 | CO[NH2+]C | 4 |
Structure and binding mode of 4mm9_ligand_2_39.mol2(FDBF00163)
Important binding residues for 4mm9_ligand_2_39.mol2(FDBF00163)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -0.70 | -7.08 | -7.78 | 5.34 | -2.44 |
| 4mm9 | ALA22 | -0.56 | -2.51 | -3.07 | 2.62 | -0.45 |
| 4mm9 | PHE253 | -0.30 | -4.32 | -4.62 | 4.06 | -0.57 |
| 4mm9 | PHE259 | -0.40 | -0.79 | -1.19 | 0.37 | -0.82 |
