Binding information for 4b82_ligand_4_14.mol2(FDBF00070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b82_ligand_4_14.mol2 | 4b82 | 1 | -6.36 | C(C)[NH+](CC)CC | 7 |
Structure and binding mode of 4b82_ligand_4_14.mol2(FDBF00070)
Important binding residues for 4b82_ligand_4_14.mol2(FDBF00070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b82 | TRP86 | -2.69 | -3.04 | -5.73 | 2.42 | -3.32 |
| 4b82 | GLY121 | -0.58 | 1.59 | 1.01 | -1.63 | -0.62 |
| 4b82 | TYR337 | -1.23 | 17.51 | 16.28 | -16.69 | -0.40 |
| 4b82 | GLY448 | -0.60 | 0.14 | -0.46 | 0.03 | -0.43 |
