Binding information for 4mm9_ligand_3_104.mol2(FDBF00163)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_3_104.mol2 | 4mm9 | 1 | -5.54 | CO[NH2+]CC | 5 |
Structure and binding mode of 4mm9_ligand_3_104.mol2(FDBF00163)
Important binding residues for 4mm9_ligand_3_104.mol2(FDBF00163)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -0.83 | -6.91 | -7.74 | 5.17 | -2.56 |
| 4mm9 | ALA22 | -0.57 | -2.47 | -3.04 | 2.59 | -0.46 |
| 4mm9 | PHE253 | -0.53 | -4.17 | -4.7 | 4.00 | -0.70 |
| 4mm9 | PHE259 | -0.41 | -1.04 | -1.45 | 0.52 | -0.92 |
