Binding information for 4mzs_ligand_1_3.mol2(FDBF04706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mzs_ligand_1_3.mol2 | 4mzs | 1 | -5.07 | N=CC | 3 |
Structure and binding mode of 4mzs_ligand_1_3.mol2(FDBF04706)
Important binding residues for 4mzs_ligand_1_3.mol2(FDBF04706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mzs | GLN141 | 0.31 | -3.09 | -2.78 | 2.43 | -0.35 |
| 4mzs | GLY145 | -0.70 | -1.54 | -2.24 | 0.83 | -1.40 |
| 4mzs | HIS287 | -0.63 | -0.72 | -1.35 | 0.92 | -0.43 |
