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Structure paper

TitleIterative approach to computational enzyme design.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 109, Page 3790-3795, Year 2012
Publish dateJul 14, 2010 (structure data deposition date)
AuthorsPrivett, H.K. / Kiss, G. / Lee, T.M. / Blomberg, R. / Chica, R.A. / Thomas, L.M. / Hilvert, D. / Houk, K.N. / Mayo, S.L.
External linksProc. Natl. Acad. Sci. USA / PubMed:22357762
MethodsX-ray diffraction
Resolution1.23 - 2 Å
Structure data

PDB-3nyd:
Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro Benzotriazole
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-3nyz:
Crystal Structure of Kemp Elimination Catalyst 1A53-2
Method: X-RAY DIFFRACTION / Resolution: 1.514 Å

PDB-3nz1:
Crystal Structure of Kemp Elimination Catalyst 1A53-2 Complexed with Transition State Analog 5-Nitro Benzotriazole
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-3o2l:
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-3NY:
5-nitro-1H-benzotriazole

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-TLA:
L(+)-TARTARIC ACID

Source
  • thermoascus aurantiacus (fungus)
  • sulfolobus solfataricus (archaea)
KeywordsHYDROLASE / Tim Barrel / Kemp Elimination Enzyme / LYASE / Kemp eliminase / Kemp elimination

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