Binding information for 4mm9_ligand_4_179.mol2(FDBF00163)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_179.mol2 | 4mm9 | 0.714286 | -5.73 | CO[NH2+]CCC | 6 |
Structure and binding mode of 4mm9_ligand_4_179.mol2(FDBF00163)
Important binding residues for 4mm9_ligand_4_179.mol2(FDBF00163)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -0.86 | -6.81 | -7.67 | 5.10 | -2.57 |
| 4mm9 | ALA22 | -0.57 | -2.44 | -3.01 | 2.56 | -0.46 |
| 4mm9 | TYR108 | -0.36 | 1.47 | 1.11 | -1.45 | -0.34 |
| 4mm9 | PHE253 | -0.76 | -4.05 | -4.81 | 3.95 | -0.86 |
| 4mm9 | PHE259 | -0.47 | -0.80 | -1.27 | 0.55 | -0.72 |
