Binding information for 4b84_ligand_4_30.mol2(FDBF00070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b84_ligand_4_30.mol2 | 4b84 | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
Structure and binding mode of 4b84_ligand_4_30.mol2(FDBF00070)
Important binding residues for 4b84_ligand_4_30.mol2(FDBF00070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b84 | TRP86 | -2.58 | -2.99 | -5.57 | 2.60 | -2.98 |
| 4b84 | TYR337 | -0.98 | -0.49 | -1.47 | 1.14 | -0.32 |
