Binding information for 1b7h_ligand_3_91.mol2(FDBF00030)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b7h_ligand_3_91.mol2 | 1b7h | 1 | -5.96 | CCCC[NH3+] | 5 |
Structure and binding mode of 1b7h_ligand_3_91.mol2(FDBF00030)
Important binding residues for 1b7h_ligand_3_91.mol2(FDBF00030)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b7h | GLU32 | -0.45 | -23.23 | -23.68 | 23.18 | -0.49 |
| 1b7h | VAL34 | -0.77 | 0.12 | -0.65 | -0.18 | -0.84 |
| 1b7h | TYR109 | -0.25 | -15.85 | -16.1 | 15.32 | -0.79 |
| 1b7h | TRP416 | -0.94 | -2.96 | -3.9 | 0.35 | -3.55 |
| 1b7h | CYS417 | -0.31 | -8.08 | -8.39 | 4.43 | -3.95 |
| 1b7h | ASP419 | 0.58 | -54.13 | -53.55 | 46.94 | -6.61 |
| 1b7h | PHE426 | -0.04 | -17.69 | -17.73 | 17.38 | -0.34 |
