Binding information for 2zmj_ligand_frag_1.mol2(FDBF00324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_frag_1.mol2 | 2zmj | 1 | -7.69 | C1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2 | 10 |
Structure and binding mode of 2zmj_ligand_frag_1.mol2(FDBF00324)
Important binding residues for 2zmj_ligand_frag_1.mol2(FDBF00324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zmj | LEU223 | -0.53 | -0.01 | -0.54 | 0.12 | -0.42 |
| 2zmj | LEU226 | -0.55 | 0.01 | -0.54 | 0.03 | -0.50 |
| 2zmj | ALA227 | -0.92 | -0.02 | -0.94 | -0.08 | -1.02 |
| 2zmj | VAL230 | -0.79 | 0.01 | -0.78 | -0.09 | -0.87 |
| 2zmj | LEU400 | -0.86 | 0.01 | -0.85 | -0.08 | -0.94 |
| 2zmj | LEU410 | -0.35 | 0.01 | -0.34 | 0.02 | -0.31 |
| 2zmj | VAL414 | -0.62 | 0.11 | -0.51 | 0.17 | -0.34 |
