Binding information for 4m3b_ligand_frag_0.mol2(FDBF00177)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_frag_0.mol2 | 4m3b | 1 | -5.37 | FC(F)F | 4 |
Structure and binding mode of 4m3b_ligand_frag_0.mol2(FDBF00177)
Important binding residues for 4m3b_ligand_frag_0.mol2(FDBF00177)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3b | PHE110 | -0.59 | -0.29 | -0.88 | 0.10 | -0.77 |
| 4m3b | ASN179 | -0.38 | 0.43 | 0.05 | -0.45 | -0.40 |
| 4m3b | GLU180 | -0.63 | 0.84 | 0.21 | -0.77 | -0.56 |
