Binding information for 4mm9_ligand_4_141.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_141.mol2 | 4mm9 | 0.75 | -5.79 | O[NH2+]CCCC | 6 |
Structure and binding mode of 4mm9_ligand_4_141.mol2(FDBF00165)
Important binding residues for 4mm9_ligand_4_141.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.33 | -0.30 | -1.63 | 1.17 | -0.46 |
| 4mm9 | VAL104 | -0.42 | 0.04 | -0.38 | -0.12 | -0.50 |
| 4mm9 | TYR108 | -0.47 | 0.18 | -0.29 | -0.11 | -0.40 |
| 4mm9 | PHE253 | -0.96 | 0.31 | -0.65 | 0.14 | -0.51 |
| 4mm9 | GLY256 | -0.50 | 0.05 | -0.45 | 0.07 | -0.39 |
| 4mm9 | SER355 | -0.28 | -0.37 | -0.65 | 0.28 | -0.37 |
| 4mm9 | THR408 | -0.40 | 0.05 | -0.35 | -0.02 | -0.37 |
