Binding information for 3b92_ligand_frag_3.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b92_ligand_frag_3.mol2 | 3b92 | 1 | -5.49 | C(#C)C | 3 |
Structure and binding mode of 3b92_ligand_frag_3.mol2(FDBF01877)
Important binding residues for 3b92_ligand_frag_3.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b92 | LEU348 | -0.41 | -0.03 | -0.44 | 0.03 | -0.41 |
| 3b92 | GLU398 | -0.84 | -0.53 | -1.37 | 1.03 | -0.33 |
| 3b92 | LEU401 | -1.21 | -0.31 | -1.52 | 0.11 | -1.41 |
| 3b92 | VAL402 | -0.84 | 0.01 | -0.83 | -0.03 | -0.86 |
| 3b92 | ALA439 | -0.71 | -0.34 | -1.05 | 0.07 | -0.98 |
| 3b92 | VAL440 | -1.05 | -0.22 | -1.27 | 0.85 | -0.42 |
