Binding information for 4b81_ligand_4_31.mol2(FDBF00070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b81_ligand_4_31.mol2 | 4b81 | 1 | -6.35 | [NH+](CC)(CC)CC | 7 |
Structure and binding mode of 4b81_ligand_4_31.mol2(FDBF00070)
Important binding residues for 4b81_ligand_4_31.mol2(FDBF00070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b81 | TRP86 | -2.43 | -3.07 | -5.5 | 2.85 | -2.65 |
| 4b81 | TYR337 | -1.40 | 15.77 | 14.37 | -14.80 | -0.43 |
