Binding information for 3ful_ligand_3_19.mol2(FDBF02832)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ful_ligand_3_19.mol2 | 3ful | 0.807692 | -6.13 | C(C[NH+]1CCCC1)O | 8 |
Structure and binding mode of 3ful_ligand_3_19.mol2(FDBF02832)
Important binding residues for 3ful_ligand_3_19.mol2(FDBF02832)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ful | GLN136 | -0.40 | -12.66 | -13.06 | 10.74 | -2.31 |
| 3ful | ALA137 | -0.59 | -0.03 | -0.62 | -0.24 | -0.86 |
| 3ful | TYR267 | -2.58 | -1.28 | -3.86 | 1.43 | -2.43 |
| 3ful | MET270 | -0.64 | -1.76 | -2.4 | 0.94 | -1.45 |
| 3ful | GLU318 | -0.13 | -36.92 | -37.05 | 36.33 | -0.72 |
| 3ful | TYR378 | -1.46 | -0.27 | -1.73 | 0.77 | -0.96 |
