Binding information for 2zmj_ligand_2_13.mol2(FDBF00394)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_2_13.mol2 | 2zmj | 1 | -7.94 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)CCO | 13 |
Structure and binding mode of 2zmj_ligand_2_13.mol2(FDBF00394)
Important binding residues for 2zmj_ligand_2_13.mol2(FDBF00394)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zmj | LEU223 | -0.87 | -0.03 | -0.9 | 0.16 | -0.74 |
| 2zmj | LEU226 | -0.96 | -0.05 | -1.01 | 0.06 | -0.96 |
| 2zmj | ALA227 | -1.02 | -0.01 | -1.03 | -0.09 | -1.11 |
| 2zmj | VAL230 | -0.89 | 0.08 | -0.81 | -0.19 | -1.00 |
| 2zmj | ALA299 | -0.78 | -2.10 | -2.88 | 1.46 | -1.41 |
| 2zmj | GLY300 | -0.52 | -0.43 | -0.95 | 0.39 | -0.56 |
| 2zmj | HIS301 | -2.15 | 0.31 | -1.84 | 1.44 | -0.40 |
| 2zmj | LEU400 | -1.06 | 0.07 | -0.99 | -0.17 | -1.15 |
| 2zmj | LEU410 | -0.38 | 0.06 | -0.32 | -0.05 | -0.36 |
| 2zmj | VAL414 | -0.62 | 0.42 | -0.2 | -0.20 | -0.40 |
