Binding information for 4mhz_ligand_1_3.mol2(FDBF00490)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mhz_ligand_1_3.mol2 | 4mhz | 1 | -5.79 | C[n+]1cc[nH]c1 | 6 |
Structure and binding mode of 4mhz_ligand_1_3.mol2(FDBF00490)
Important binding residues for 4mhz_ligand_1_3.mol2(FDBF00490)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mhz | HIS128 | -0.32 | 0.03 | -0.29 | -0.17 | -0.46 |
| 4mhz | TRP189 | -0.59 | -0.81 | -1.4 | 1.07 | -0.33 |
| 4mhz | LEU239 | -0.38 | 0.58 | 0.2 | -0.81 | -0.61 |
| 4mhz | ILE295 | -0.27 | 0.23 | -0.04 | -0.36 | -0.40 |
| 4mhz | PHE317 | -0.56 | 0.17 | -0.39 | 0.03 | -0.35 |
| 4mhz | TRP321 | 0.83 | -5.19 | -4.36 | 2.65 | -1.71 |
| 4mhz | HIS322 | -0.52 | -0.02 | -0.54 | -0.18 | -0.72 |
