Binding information for 1zz3_ligand_1_2.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zz3_ligand_1_2.mol2 | 1zz3 | 1 | -5.71 | CC=O | 3 |
Structure and binding mode of 1zz3_ligand_1_2.mol2(FDBF00098)
Important binding residues for 1zz3_ligand_1_2.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zz3 | PHE152 | -0.40 | -0.21 | -0.61 | 0.19 | -0.42 |
| 1zz3 | ASP180 | -0.41 | 3.49 | 3.08 | -7.99 | -4.91 |
| 1zz3 | HIS182 | -0.69 | 0.82 | 0.13 | -2.41 | -2.28 |
| 1zz3 | ASP268 | -0.27 | 6.47 | 6.2 | -9.54 | -3.34 |
