Binding information for 1zd4_ligand_2_5.mol2(FDBF00120)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd4_ligand_2_5.mol2 | 1zd4 | 1 | -6.03 | NC(=O)NCC | 6 |
Structure and binding mode of 1zd4_ligand_2_5.mol2(FDBF00120)
Important binding residues for 1zd4_ligand_2_5.mol2(FDBF00120)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zd4 | PHE265 | -0.81 | -0.47 | -1.28 | 0.82 | -0.46 |
| 1zd4 | TRP334 | -0.63 | -0.51 | -1.14 | 0.46 | -0.68 |
| 1zd4 | TYR381 | 0.77 | -8.20 | -7.43 | 7.09 | -0.34 |
| 1zd4 | VAL497 | -0.51 | 0.14 | -0.37 | -0.39 | -0.77 |
