Binding information for 1zhy_ligand.mol2(FDBF00092)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zhy_ligand.mol2 | 1zhy | 0.763158 | -10.93 | C1C[C@@H](CC2=CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1[C@H](C)CCCC(C)C)C)O | 29 |
Structure and binding mode of 1zhy_ligand.mol2(FDBF00092)
Important binding residues for 1zhy_ligand.mol2(FDBF00092)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zhy | ILE33 | -0.70 | 0.12 | -0.58 | 0.19 | -0.39 |
| 1zhy | LEU39 | -1.50 | -0.60 | -2.1 | 1.28 | -0.83 |
| 1zhy | PHE42 | -1.70 | 0.16 | -1.54 | 0.25 | -1.29 |
| 1zhy | GLN96 | -0.15 | -1.46 | -1.61 | 0.84 | -0.76 |
| 1zhy | TYR97 | -1.95 | -0.24 | -2.19 | 0.99 | -1.19 |
| 1zhy | ARG100 | -0.89 | 0.17 | -0.72 | -0.73 | -1.46 |
| 1zhy | LYS109 | -1.72 | 0.18 | -1.54 | -0.42 | -1.96 |
| 1zhy | PRO110 | -1.72 | -0.22 | -1.94 | 1.16 | -0.78 |
| 1zhy | ASN165 | -1.22 | -0.23 | -1.45 | 1.09 | -0.36 |
| 1zhy | ILE167 | -1.41 | -0.00 | -1.41 | -0.09 | -1.50 |
| 1zhy | LEU177 | -0.91 | 0.11 | -0.8 | 0.23 | -0.57 |
| 1zhy | VAL179 | -0.93 | 0.04 | -0.89 | -0.18 | -1.07 |
| 1zhy | LEU201 | -0.99 | -0.18 | -1.17 | 0.24 | -0.93 |
| 1zhy | ILE203 | -1.33 | 0.01 | -1.32 | -0.14 | -1.46 |
| 1zhy | ILE206 | -0.64 | -0.11 | -0.75 | 0.34 | -0.40 |
| 1zhy | PRO211 | -0.75 | 0.01 | -0.74 | -0.10 | -0.84 |
| 1zhy | VAL213 | -0.78 | 0.01 | -0.77 | -0.16 | -0.94 |
