Binding information for 1zd3_ligand_2_3.mol2(FDBF00120)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd3_ligand_2_3.mol2 | 1zd3 | 1 | -6.12 | C(C)NC(=O)N | 6 |
Structure and binding mode of 1zd3_ligand_2_3.mol2(FDBF00120)
Important binding residues for 1zd3_ligand_2_3.mol2(FDBF00120)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zd3 | PHE265 | -0.83 | -0.24 | -1.07 | 0.62 | -0.45 |
| 1zd3 | TRP334 | -0.65 | -0.98 | -1.63 | 0.85 | -0.78 |
| 1zd3 | TYR381 | -0.06 | -6.94 | -7 | 6.67 | -0.34 |
| 1zd3 | VAL497 | -0.53 | 0.18 | -0.35 | -0.44 | -0.79 |
| 1zd3 | HIS523 | -0.88 | 0.68 | -0.2 | -0.11 | -0.31 |
