Binding information for 1ndy_ligand_2_4.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ndy_ligand_2_4.mol2 | 1ndy | 1 | -5.73 | C(CO)C | 4 |
Structure and binding mode of 1ndy_ligand_2_4.mol2(FDBF00018)
Important binding residues for 1ndy_ligand_2_4.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ndy | ARG101 | -0.24 | -1.54 | -1.78 | 1.21 | -0.57 |
| 1ndy | TYR102 | -0.40 | -0.25 | -0.65 | -0.23 | -0.88 |
| 1ndy | MET155 | -0.50 | 0.01 | -0.49 | 0.07 | -0.41 |
