Binding information for 2hzn_ligand_2_7.mol2(FDBF00872)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hzn_ligand_2_7.mol2 | 2hzn | 0.813559 | -7.21 | FC(F)(F)c1cccc(c1)NC(=O)N | 14 |
Structure and binding mode of 2hzn_ligand_2_7.mol2(FDBF00872)
Important binding residues for 2hzn_ligand_2_7.mol2(FDBF00872)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hzn | GLU286 | -0.56 | -12.00 | -12.56 | 11.30 | -1.26 |
| 2hzn | VAL289 | -0.45 | 1.31 | 0.86 | -1.32 | -0.47 |
| 2hzn | MET290 | -1.10 | 0.68 | -0.42 | -0.04 | -0.46 |
| 2hzn | ILE293 | -0.70 | -0.85 | -1.55 | 1.04 | -0.51 |
| 2hzn | LEU298 | -0.65 | -0.62 | -1.27 | 0.49 | -0.79 |
| 2hzn | VAL299 | -0.94 | 0.03 | -0.91 | -0.04 | -0.95 |
| 2hzn | PHE359 | -0.61 | 0.05 | -0.56 | 0.19 | -0.37 |
| 2hzn | HIS361 | -0.71 | -1.26 | -1.97 | 1.45 | -0.52 |
| 2hzn | VAL379 | -0.62 | 0.24 | -0.38 | -0.30 | -0.68 |
| 2hzn | ALA380 | -0.94 | -1.33 | -2.27 | 0.27 | -1.99 |
| 2hzn | ASP381 | -2.27 | -1.42 | -3.69 | 2.34 | -1.34 |
