Binding information for 5d11_ligand_1_3.mol2(FDBF02504)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d11_ligand_1_3.mol2 | 5d11 | 0.291667 | -5.53 | C1=NC(=O)N=CC1 | 7 |
Structure and binding mode of 5d11_ligand_1_3.mol2(FDBF02504)
Important binding residues for 5d11_ligand_1_3.mol2(FDBF02504)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d11 | LEU273 | -1.43 | -0.22 | -1.65 | 0.21 | -1.44 |
| 5d11 | VAL281 | -0.59 | -0.17 | -0.76 | -0.01 | -0.77 |
| 5d11 | MET341 | -0.49 | -1.82 | -2.31 | 1.92 | -0.39 |
| 5d11 | LEU393 | -0.62 | 0.25 | -0.37 | -0.23 | -0.60 |
