Binding information for 4l2l_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l2l_ligand_frag_2.mol2 | 4l2l | 1 | -6.78 | c1ccccc1 | 6 |
Structure and binding mode of 4l2l_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 4l2l_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l2l | PHE314 | -1.50 | 0.14 | -1.36 | 0.02 | -1.34 |
| 4l2l | VAL367 | -0.28 | -0.04 | -0.32 | -0.04 | -0.36 |
| 4l2l | LEU369 | -0.53 | 0.11 | -0.42 | -0.06 | -0.48 |
| 4l2l | PRO374 | -0.65 | 0.03 | -0.62 | 0.21 | -0.41 |
| 4l2l | ALA377 | -0.88 | -0.41 | -1.29 | 0.24 | -1.05 |
| 4l2l | PRO382 | -0.48 | -0.08 | -0.56 | 0.03 | -0.53 |
