Binding information for 4ciz_ligand_frag_0.mol2(FDBF00306)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ciz_ligand_frag_0.mol2 | 4ciz | 1 | -7.58 | C1(CCC[C@@H](C1)C)(C)C | 9 |
Structure and binding mode of 4ciz_ligand_frag_0.mol2(FDBF00306)
Important binding residues for 4ciz_ligand_frag_0.mol2(FDBF00306)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ciz | LEU220 | -0.73 | -0.00 | -0.73 | 0.15 | -0.58 |
| 4ciz | MET223 | -1.30 | 0.02 | -1.28 | 0.29 | -0.99 |
| 4ciz | VAL224 | -0.83 | -0.01 | -0.84 | -0.02 | -0.85 |
| 4ciz | LEU227 | -0.68 | -0.00 | -0.68 | 0.04 | -0.64 |
| 4ciz | TYR251 | -0.85 | 0.03 | -0.82 | 0.24 | -0.57 |
| 4ciz | VAL254 | -0.10 | -0.05 | -0.15 | -0.18 | -0.32 |
| 4ciz | LEU258 | -0.47 | 0.03 | -0.44 | 0.10 | -0.34 |
| 4ciz | VAL266 | -0.72 | 0.00 | -0.72 | -0.14 | -0.86 |
