Binding information for 4l2l_ligand_1_0.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l2l_ligand_1_0.mol2 | 4l2l | 1 | -7.12 | c1ccccc1C | 7 |
Structure and binding mode of 4l2l_ligand_1_0.mol2(FDBF00023)
Important binding residues for 4l2l_ligand_1_0.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l2l | GLN136 | -1.23 | -1.07 | -2.3 | 1.08 | -1.22 |
| 4l2l | ALA137 | -0.96 | -0.06 | -1.02 | 0.11 | -0.90 |
| 4l2l | TRP311 | -0.90 | 0.10 | -0.8 | 0.26 | -0.53 |
| 4l2l | PHE314 | -1.06 | -0.14 | -1.2 | 0.54 | -0.66 |
| 4l2l | ALA377 | -0.18 | 0.03 | -0.15 | -0.21 | -0.35 |
| 4l2l | TYR378 | -1.54 | -0.52 | -2.06 | 0.55 | -1.51 |
