Binding information for 4mm9_ligand_3_86.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_3_86.mol2 | 4mm9 | 1 | -5.63 | O[NH2+]CCC | 5 |
Structure and binding mode of 4mm9_ligand_3_86.mol2(FDBF00165)
Important binding residues for 4mm9_ligand_3_86.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.31 | -0.27 | -1.58 | 1.12 | -0.45 |
| 4mm9 | VAL104 | -0.32 | 0.04 | -0.28 | -0.12 | -0.40 |
| 4mm9 | GLY256 | -0.49 | 0.05 | -0.44 | 0.08 | -0.37 |
| 4mm9 | SER355 | -0.28 | -0.36 | -0.64 | 0.27 | -0.36 |
