Binding information for 4b7z_ligand_4_31.mol2(FDBF00393)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b7z_ligand_4_31.mol2 | 4b7z | 1 | -6.40 | C(C)[NH+](CC)CC | 7 |
Structure and binding mode of 4b7z_ligand_4_31.mol2(FDBF00393)
Important binding residues for 4b7z_ligand_4_31.mol2(FDBF00393)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b7z | TRP86 | -2.83 | -2.70 | -5.53 | 2.40 | -3.14 |
| 4b7z | GLY121 | -0.75 | 1.70 | 0.95 | -1.73 | -0.78 |
| 4b7z | TYR337 | -1.29 | 16.36 | 15.07 | -15.49 | -0.43 |
