Binding information for 1ayv_ligand_1_3.mol2(FDBF01310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ayv_ligand_1_3.mol2 | 1ayv | 0.617021 | -5.51 | c1(sccn1)C | 6 |
Structure and binding mode of 1ayv_ligand_1_3.mol2(FDBF01310)
Important binding residues for 1ayv_ligand_1_3.mol2(FDBF01310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ayv | GLN19 | -1.24 | -1.40 | -2.64 | 1.05 | -1.58 |
| 1ayv | CYS22 | -0.48 | 0.32 | -0.16 | -0.22 | -0.39 |
| 1ayv | TRP184 | -0.50 | -0.31 | -0.81 | 0.50 | -0.31 |
