Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes.
Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes.
The hepatitis C virus NS3 protein contains a serine protease domain with a chymotrypsin-like fold, which is a target for development of therapeutics. We report the crystal structures of this domain complexed with NS4A cofactor and with two potent, reversible covalent inhibitors spanning the P1-P4 residues. Both inhibitors bind in an extended backbone conformation, forming an anti-parallel beta-sheet with one enzyme beta-strand. The P1 residue contributes most to the binding energy, whereas P2-P4 side chains are partially solvent exposed. The structures do not show notable rearrangements of the active site upon inhibitor binding. These results are significant for the development of antivirals.
Binding Sites, Molecular Sequence Data, Hydrogen Bonding, Cell Biology, Hepacivirus, Viral Nonstructural Proteins, Biochemistry, Antiviral Agents, Protein Structure, Secondary, Amino Acid Sequence, Crystallization, Molecular Biology
Binding Sites, Molecular Sequence Data, Hydrogen Bonding, Cell Biology, Hepacivirus, Viral Nonstructural Proteins, Biochemistry, Antiviral Agents, Protein Structure, Secondary, Amino Acid Sequence, Crystallization, Molecular Biology
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