Binding information for 4kmz_ligand_2_6.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kmz_ligand_2_6.mol2 | 4kmz | 1 | -6.72 | N(c1ccccc1)C | 8 |
Structure and binding mode of 4kmz_ligand_2_6.mol2(FDBF00049)
Important binding residues for 4kmz_ligand_2_6.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kmz | TYR76 | -1.66 | -0.03 | -1.69 | 0.50 | -1.20 |
| 4kmz | PHE78 | -0.84 | 0.06 | -0.78 | 0.46 | -0.32 |
| 4kmz | TRP118 | -1.56 | -0.11 | -1.67 | 1.10 | -0.57 |
| 4kmz | HIS151 | -1.61 | -0.95 | -2.56 | 1.21 | -1.35 |
