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Structure paper

TitleCrystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
Journal, issue, pagesJ. Virol., Vol. 85, Page 10021-10030, Year 2011
Publish dateMar 7, 2011 (structure data deposition date)
AuthorsWang, J. / Fan, T. / Yao, X. / Wu, Z. / Guo, L. / Lei, X. / Wang, M. / Jin, Q. / Cui, S.
External linksJ. Virol. / PubMed:21813612
MethodsX-ray diffraction
Resolution1.039 - 1.7001 Å
Structure data

PDB-3qzq:
Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir
Method: X-RAY DIFFRACTION / Resolution: 1.7001 Å

PDB-3qzr:
Human enterovirus 71 3C protease mutant E71A in complex with rupintrivir
Method: X-RAY DIFFRACTION / Resolution: 1.039 Å

PDB-3r0f:
Human enterovirus 71 3C protease mutant H133G in complex with rupintrivir
Method: X-RAY DIFFRACTION / Resolution: 1.3083 Å

Chemicals

ChemComp-AG7:
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER / antivirus, protease inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • human enterovirus 71
KeywordsHYDROLASE/HYDROLASE INHIBITOR / chymotrypsin-fold / beta-ribbon / hydrolysis / nucleus / HYDROLASE-HYDROLASE INHIBITOR complex

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