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TitleAn episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors.
Journal, issue, pagesJ. Mol. Biol., Vol. 361, Page 673-686, Year 2006
Publish dateMay 31, 2006 (structure data deposition date)
AuthorsYin, J. / Cherney, M.M. / Bergmann, E.M. / Zhang, J. / Huitema, C. / Pettersson, H. / Eltis, L.D. / Vederas, J.C. / James, M.N.
External linksJ. Mol. Biol. / PubMed:16860823
MethodsX-ray diffraction
Resolution1.35 - 1.4 Å
Structure data

PDB-2h6m:
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-2h9h:
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-2hal:
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-BBL:
N-[(BENZYLOXY)CARBONYL]-L-ALANINE

ChemComp-HOH:
WATER

Source
  • hepatitis a virus
KeywordsHYDROLASE/HYDROLASE INHIBITOR / BETA BARREL / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / METHYLKETONE / EPISULFIDE / HYDROLASE-HYDRLASE INHIBITOR COMPLEX / HEPATITIS A VIRUS / 3C PROTEASE / INHIBITOR DESIGN / PICORNAIN

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