Binding information for 3hy5_ligand_frag_0.mol2(FDBF00306)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hy5_ligand_frag_0.mol2 | 3hy5 | 1 | -7.64 | C1(CCC[C@H](C1)C)(C)C | 9 |
Structure and binding mode of 3hy5_ligand_frag_0.mol2(FDBF00306)
Important binding residues for 3hy5_ligand_frag_0.mol2(FDBF00306)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hy5 | LEU220 | -0.46 | -0.01 | -0.47 | 0.12 | -0.35 |
| 3hy5 | MET223 | -1.10 | 0.01 | -1.09 | 0.21 | -0.88 |
| 3hy5 | VAL224 | -0.64 | -0.00 | -0.64 | -0.04 | -0.69 |
| 3hy5 | LEU227 | -0.70 | 0.00 | -0.7 | 0.03 | -0.66 |
| 3hy5 | ILE238 | -0.34 | -0.01 | -0.35 | -0.07 | -0.42 |
| 3hy5 | TYR251 | -0.91 | 0.00 | -0.91 | 0.23 | -0.68 |
| 3hy5 | VAL254 | -0.40 | -0.02 | -0.42 | -0.15 | -0.57 |
| 3hy5 | VAL266 | -0.87 | -0.01 | -0.88 | -0.09 | -0.98 |
