Binding information for 4rz1_ligand_2_70.mol2(FDBF02227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rz1_ligand_2_70.mol2 | 4rz1 | 0.7 | -5.81 | C1C[C@@H](C[NH2+]1)OC(=O)NC | 10 |
Structure and binding mode of 4rz1_ligand_2_70.mol2(FDBF02227)
Important binding residues for 4rz1_ligand_2_70.mol2(FDBF02227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rz1 | ASP32 | 0.50 | -54.75 | -54.25 | 49.15 | -5.10 |
| 4rz1 | SER35 | -0.42 | 1.87 | 1.45 | -1.89 | -0.44 |
| 4rz1 | TYR75 | -1.35 | -0.24 | -1.59 | -0.42 | -2.02 |
| 4rz1 | SER76 | -0.50 | -0.72 | -1.22 | 0.20 | -1.02 |
| 4rz1 | ASP215 | -0.92 | -52.84 | -53.76 | 51.20 | -2.56 |
| 4rz1 | ALA218 | -0.48 | 0.03 | -0.45 | -0.32 | -0.77 |
