Binding information for 1zd5_ligand_2_6.mol2(FDBF00120)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd5_ligand_2_6.mol2 | 1zd5 | 1 | -6.00 | NC(=O)NCC | 6 |
Structure and binding mode of 1zd5_ligand_2_6.mol2(FDBF00120)
Important binding residues for 1zd5_ligand_2_6.mol2(FDBF00120)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zd5 | PHE265 | -0.42 | -0.41 | -0.83 | 0.46 | -0.36 |
| 1zd5 | TRP334 | -1.32 | -0.48 | -1.8 | 0.62 | -1.18 |
| 1zd5 | TYR381 | -0.08 | -7.23 | -7.31 | 6.77 | -0.53 |
| 1zd5 | VAL497 | -0.36 | 0.07 | -0.29 | -0.29 | -0.58 |
| 1zd5 | LEU498 | -0.61 | -0.33 | -0.94 | 0.45 | -0.49 |
