Binding information for 1b05_ligand_1_7.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b05_ligand_1_7.mol2 | 1b05 | 1 | -5.48 | CNC=O | 4 |
Structure and binding mode of 1b05_ligand_1_7.mol2(FDBF00024)
Important binding residues for 1b05_ligand_1_7.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b05 | GLU32 | 0.53 | -5.81 | -5.28 | 4.90 | -0.38 |
| 1b05 | GLY33 | -0.47 | -0.34 | -0.81 | 0.33 | -0.47 |
| 1b05 | VAL34 | -0.43 | -0.24 | -0.67 | 0.23 | -0.44 |
| 1b05 | TRP416 | -1.69 | -1.63 | -3.32 | 0.87 | -2.44 |
| 1b05 | CYS417 | -0.48 | -1.58 | -2.06 | 0.57 | -1.50 |
