Binding information for 2c5y_ligand_1_0.mol2(FDBF00260)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c5y_ligand_1_0.mol2 | 2c5y | 0.633333 | -5.44 | C[n+]1c[nH]cn1 | 6 |
Structure and binding mode of 2c5y_ligand_1_0.mol2(FDBF00260)
Important binding residues for 2c5y_ligand_1_0.mol2(FDBF00260)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c5y | GLY11 | -0.45 | -1.16 | -1.61 | 0.65 | -0.96 |
| 2c5y | GLY16 | -0.17 | -0.14 | -0.31 | -0.12 | -0.42 |
| 2c5y | VAL18 | -0.61 | 0.05 | -0.56 | -0.08 | -0.64 |
| 2c5y | LYS33 | -0.36 | -5.30 | -5.66 | 5.15 | -0.52 |
| 2c5y | ASN132 | -0.57 | 0.32 | -0.25 | -0.07 | -0.32 |
