Binding information for 4btl_ligand_4_69.mol2(FDBF00070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4btl_ligand_4_69.mol2 | 4btl | 1 | -6.31 | [NH+](CC)(CC)CC | 7 |
Structure and binding mode of 4btl_ligand_4_69.mol2(FDBF00070)
Important binding residues for 4btl_ligand_4_69.mol2(FDBF00070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4btl | TRP86 | -2.87 | -3.46 | -6.33 | 3.04 | -3.29 |
| 4btl | GLY121 | -0.49 | 1.55 | 1.06 | -1.59 | -0.53 |
| 4btl | TYR337 | -1.08 | 17.12 | 16.04 | -16.36 | -0.32 |
