Binding information for 1zp5_ligand_frag_1.mol2(FDBF02254)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zp5_ligand_frag_1.mol2 | 1zp5 | 1 | -6.89 | c1ccc(cc1)C#N | 8 |
Structure and binding mode of 1zp5_ligand_frag_1.mol2(FDBF02254)
Important binding residues for 1zp5_ligand_frag_1.mol2(FDBF02254)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zp5 | LEU193 | -1.06 | -0.04 | -1.1 | 0.30 | -0.79 |
| 1zp5 | VAL194 | -0.56 | 0.15 | -0.41 | 0.03 | -0.38 |
| 1zp5 | HIS197 | -2.17 | 1.11 | -1.06 | 0.12 | -0.95 |
| 1zp5 | LEU214 | -1.19 | -0.50 | -1.69 | 1.12 | -0.57 |
| 1zp5 | TYR219 | -1.55 | -0.36 | -1.91 | 0.28 | -1.63 |
