Binding information for 1b0h_ligand_1_10.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b0h_ligand_1_10.mol2 | 1b0h | 1 | -5.48 | C(=O)NC | 4 |
Structure and binding mode of 1b0h_ligand_1_10.mol2(FDBF00024)
Important binding residues for 1b0h_ligand_1_10.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b0h | GLU32 | 0.00 | -5.21 | -5.21 | 4.50 | -0.71 |
| 1b0h | GLY33 | -0.45 | -0.22 | -0.67 | 0.27 | -0.40 |
| 1b0h | VAL34 | -0.39 | -0.21 | -0.6 | 0.19 | -0.42 |
| 1b0h | TRP416 | -1.68 | -1.58 | -3.26 | 0.79 | -2.47 |
| 1b0h | CYS417 | -0.44 | -1.50 | -1.94 | 0.45 | -1.49 |
