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Structure paper

TitleCrystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
Journal, issue, pagesJ. Mol. Biol., Vol. 353, Page 1137-1151, Year 2005
Publish dateJun 30, 2005 (structure data deposition date)
AuthorsLee, T.-W. / Cherney, M.M. / Huitema, C. / Liu, J. / James, K.E. / Powers, J.C. / Eltis, L.D. / James, M.N.
External linksJ. Mol. Biol. / PubMed:16219322
MethodsX-ray diffraction
Resolution1.88 - 2.3 Å
Structure data

PDB-2a5a:
Crystal structure of unbound SARS coronavirus main peptidase in the space group C2
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-2a5i:
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-2a5k:
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-AZP:
(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE

ChemComp-GOL:
GLYCEROL

Source
  • sars coronavirus
KeywordsHYDROLASE / cysteine peptidase / 3C-like / N-finger / chymotrypsin-like fold / long loop / alpha-helical domain / dimer / catalytic dyad / specificity pockets / aza-peptide epoxide / substrate-like inhibitor / C-S covalent bond / epoxide stereochemistry

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