Binding information for 4zim_ligand_frag_0.mol2(FDBF00010)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zim_ligand_frag_0.mol2 | 4zim | 1 | -7.71 | C1CC[C@@H]2[C@H](C1)[C@H]1[C@H](CCCC1)[NH2+]2 | 13 |
Structure and binding mode of 4zim_ligand_frag_0.mol2(FDBF00010)
Important binding residues for 4zim_ligand_frag_0.mol2(FDBF00010)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zim | LEU855 | -2.33 | -1.16 | -3.49 | 0.92 | -2.57 |
| 4zim | VAL863 | -0.72 | 0.01 | -0.71 | -0.31 | -1.02 |
| 4zim | ALA880 | -0.38 | -0.16 | -0.54 | 0.07 | -0.47 |
| 4zim | LEU932 | -0.77 | -2.04 | -2.81 | 1.83 | -0.97 |
| 4zim | PRO933 | -0.62 | -0.25 | -0.87 | 0.52 | -0.35 |
| 4zim | TYR934 | -0.48 | -0.14 | -0.62 | -0.08 | -0.70 |
| 4zim | GLY935 | -1.11 | -1.01 | -2.12 | 0.50 | -1.62 |
| 4zim | LEU983 | -1.50 | -0.12 | -1.62 | -0.07 | -1.70 |
