Binding information for 3blt_ligand_1_2.mol2(FDBF00322)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3blt_ligand_1_2.mol2 | 3blt | 1 | -5.88 | C(C)[S](O)O | 5 |
Structure and binding mode of 3blt_ligand_1_2.mol2(FDBF00322)
Important binding residues for 3blt_ligand_1_2.mol2(FDBF00322)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3blt | PHE229 | -0.05 | -12.84 | -12.89 | 12.56 | -0.32 |
| 3blt | TYR261 | -0.09 | -15.08 | -15.17 | 14.58 | -0.59 |
| 3blt | GLU290 | -0.07 | -37.81 | -37.88 | 36.40 | -1.48 |
| 3blt | ASP356 | -0.59 | -37.67 | -38.26 | 34.71 | -3.55 |
| 3blt | THR358 | -0.04 | -19.16 | -19.2 | 18.80 | -0.40 |
| 3blt | THR410 | -0.07 | 1.31 | 1.24 | -2.80 | -1.55 |
