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TitleComputational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.
Journal, issue, pagesNat. Chem. Biol., Vol. 8, Page 294-300, Year 2012
Publish dateJul 21, 2011 (structure data deposition date)
AuthorsKhare, S.D. / Kipnis, Y. / Greisen, P.J. / Takeuchi, R. / Ashani, Y. / Goldsmith, M. / Song, Y. / Gallaher, J.L. / Silman, I. / Leader, H. ...Khare, S.D. / Kipnis, Y. / Greisen, P.J. / Takeuchi, R. / Ashani, Y. / Goldsmith, M. / Song, Y. / Gallaher, J.L. / Silman, I. / Leader, H. / Sussman, J.L. / Stoddard, B.L. / Tawfik, D.S. / Baker, D.
External linksNat. Chem. Biol. / PubMed:22306579
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-3t1g:
Engineering of organophosphate hydrolase by computational design and directed evolution
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / Computational design / directed evolution / TIM beta/alpha-barrel / Metallo-dependent hydrolase / Organophosphate binding / Hydrolysis / Artificial enzyme

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