Binding information for 4rab_ligand_2_46.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rab_ligand_2_46.mol2 | 4rab | 0.25 | -4.81 | [NH2+](C)C | 3 |
Structure and binding mode of 4rab_ligand_2_46.mol2(FDBF00001)
Important binding residues for 4rab_ligand_2_46.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rab | GLU133 | -0.05 | -8.43 | -8.48 | 8.03 | -0.45 |
| 4rab | ASP134 | -0.09 | -25.66 | -25.75 | 24.95 | -0.80 |
| 4rab | ILE135 | -0.21 | -1.14 | -1.35 | 1.05 | -0.31 |
