Figure 5.
Figure 5. Comparison of binding of flurbiprofen to TTR and
COX-2. a, Hormone binding channel of TTR with bound
flurbiprofen. In each binding conformation flurbiprofen fills
three halogen binding pockets: the phenyl ring binds into the
innermost HBP-3, the fluorine substituent into HBP-2, and the
-methyl
group into HBP-1. b, Binding of the anti-inflammatory
flurbiprofen into the prostaglandin binding channel of COX-2
(PDB 3PGH)28. The binding channel has two entrances, one on the
top and one on the left. The CH[2]COOH group of flurbiprofen is
positioned at one of the entries close to the gate residue Arg
120 and thus allows the formation of a salt bridge. As in the
TTR -FLP complex further protein -ligand interactions are
augmented by hydrophobic interactions between the biphenyl
moiety of the drug and hydrophobic protein residues.
-methyl
group into HBP-1. b, Binding of the anti-inflammatory
flurbiprofen into the prostaglandin binding channel of COX-2
(PDB 3PGH)28. The binding channel has two entrances, one on the
top and one on the left. The CH[2]COOH group of flurbiprofen is
positioned at one of the entries close to the gate residue Arg
120 and thus allows the formation of a salt bridge. As in the
TTR -FLP complex further protein -ligand interactions are
augmented by hydrophobic interactions between the biphenyl
moiety of the drug and hydrophobic protein residues.