Binding information for 2zmj_ligand_3_4.mol2(FDBF02486)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_3_4.mol2 | 2zmj | 0.666667 | -5.93 | C(C=C)[C@@H](O)C | 6 |
Structure and binding mode of 2zmj_ligand_3_4.mol2(FDBF02486)
Important binding residues for 2zmj_ligand_3_4.mol2(FDBF02486)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zmj | LEU223 | -0.42 | -0.03 | -0.45 | -0.00 | -0.45 |
| 2zmj | LEU226 | -0.81 | -0.07 | -0.88 | 0.06 | -0.82 |
| 2zmj | VAL230 | -0.28 | 0.09 | -0.19 | -0.19 | -0.38 |
| 2zmj | VAL296 | -0.82 | 0.71 | -0.11 | -0.37 | -0.49 |
| 2zmj | ALA299 | -0.67 | -2.18 | -2.85 | 1.34 | -1.51 |
| 2zmj | GLY300 | -0.44 | -0.43 | -0.87 | 0.35 | -0.53 |
| 2zmj | HIS301 | -1.59 | 0.06 | -1.53 | 0.70 | -0.83 |
