Binding information for 2alv_ligand_1_11.mol2(FDBF00190)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2alv_ligand_1_11.mol2 | 2alv | 1 | -5.54 | C(C)OC(=O)CC | 7 |
Structure and binding mode of 2alv_ligand_1_11.mol2(FDBF00190)
Important binding residues for 2alv_ligand_1_11.mol2(FDBF00190)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2alv | LEU27 | -1.12 | -0.76 | -1.88 | 0.63 | -1.25 |
| 2alv | GLY143 | -0.60 | -0.48 | -1.08 | 0.39 | -0.69 |
| 2alv | SER144 | -0.76 | -0.04 | -0.8 | 0.24 | -0.56 |
