Binding information for 2zas_ligand_1_0.mol2(FDBF04962)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zas_ligand_1_0.mol2 | 2zas | 0.757576 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
Structure and binding mode of 2zas_ligand_1_0.mol2(FDBF04962)
Important binding residues for 2zas_ligand_1_0.mol2(FDBF04962)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zas | CYS269 | -0.58 | -0.05 | -0.63 | 0.24 | -0.39 |
| 2zas | LEU271 | -0.64 | 0.14 | -0.5 | -0.38 | -0.87 |
| 2zas | ALA272 | -0.73 | -0.04 | -0.77 | -0.16 | -0.93 |
| 2zas | GLU275 | 2.84 | -12.23 | -9.39 | 8.22 | -1.17 |
| 2zas | LEU309 | -1.61 | 0.21 | -1.4 | -0.22 | -1.63 |
| 2zas | ILE310 | -0.58 | 0.18 | -0.4 | -0.07 | -0.48 |
| 2zas | VAL313 | -0.62 | -0.22 | -0.84 | -0.11 | -0.95 |
| 2zas | ARG316 | -0.23 | -1.70 | -1.93 | 0.88 | -1.05 |
| 2zas | TYR326 | -1.50 | -0.54 | -2.04 | 0.81 | -1.23 |
| 2zas | PHE435 | -0.97 | -0.23 | -1.2 | 0.67 | -0.53 |
