Binding information for 4lm3_ligand_frag_0.mol2(FDBF04002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lm3_ligand_frag_0.mol2 | 4lm3 | 0.606061 | -6.59 | c1cc2c(cc1)OCCO2 | 10 |
Structure and binding mode of 4lm3_ligand_frag_0.mol2(FDBF04002)
Important binding residues for 4lm3_ligand_frag_0.mol2(FDBF04002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lm3 | LEU675 | -0.56 | -0.03 | -0.59 | 0.04 | -0.55 |
| 4lm3 | ILE692 | -1.29 | -0.13 | -1.42 | -0.15 | -1.56 |
| 4lm3 | PHE696 | -1.02 | -0.32 | -1.34 | 0.60 | -0.75 |
| 4lm3 | MET713 | -0.65 | -0.06 | -0.71 | 0.03 | -0.68 |
| 4lm3 | GLN726 | -0.75 | -1.38 | -2.13 | 1.30 | -0.83 |
| 4lm3 | PHE729 | -2.38 | 0.72 | -1.66 | 0.14 | -1.53 |
