Binding information for 3d91_ligand_3_550.mol2(FDBF06794)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d91_ligand_3_550.mol2 | 3d91 | 1 | -5.86 | CC[C@H](CO)O | 6 |
Structure and binding mode of 3d91_ligand_3_550.mol2(FDBF06794)
Important binding residues for 3d91_ligand_3_550.mol2(FDBF06794)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d91 | GLY40 | -0.60 | -0.47 | -1.07 | -0.82 | -1.90 |
| 3d91 | SER41 | -0.39 | -0.05 | -0.44 | 0.12 | -0.33 |
| 3d91 | TYR83 | -1.21 | -0.30 | -1.51 | 0.71 | -0.81 |
| 3d91 | GLY228 | -0.69 | -0.12 | -0.81 | 0.21 | -0.60 |
