Binding information for 2z6w_ligand_3_91.mol2(FDBF00021)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2z6w_ligand_3_91.mol2 | 2z6w | 1 | -5.10 | C(O)[C@@H](C/C=C/C)C | 8 |
Structure and binding mode of 2z6w_ligand_3_91.mol2(FDBF00021)
Important binding residues for 2z6w_ligand_3_91.mol2(FDBF00021)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2z6w | ALA103 | -1.36 | -0.12 | -1.48 | 0.50 | -0.98 |
| 2z6w | GLY104 | -0.43 | 0.04 | -0.39 | -0.10 | -0.48 |
