Binding information for 1b4z_ligand_3_11.mol2(FDBF00030)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b4z_ligand_3_11.mol2 | 1b4z | 1 | -5.95 | C(CC[NH3+])C | 5 |
Structure and binding mode of 1b4z_ligand_3_11.mol2(FDBF00030)
Important binding residues for 1b4z_ligand_3_11.mol2(FDBF00030)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b4z | GLU32 | -0.50 | -22.80 | -23.3 | 22.77 | -0.53 |
| 1b4z | VAL34 | -0.84 | 0.12 | -0.72 | -0.18 | -0.90 |
| 1b4z | TYR109 | -0.18 | -15.72 | -15.9 | 15.31 | -0.59 |
| 1b4z | TRP416 | -1.16 | -2.67 | -3.83 | 0.37 | -3.47 |
| 1b4z | CYS417 | -0.15 | -8.36 | -8.51 | 4.57 | -3.93 |
| 1b4z | ASP419 | 0.32 | -54.50 | -54.18 | 47.81 | -6.37 |
| 1b4z | PHE426 | -0.04 | -17.91 | -17.95 | 17.57 | -0.38 |
