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TitleComputational design of catalytic dyads and oxyanion holes for ester hydrolysis.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 134, Page 16197-16206, Year 2012
Publish dateSep 29, 2011 (structure data deposition date)
AuthorsRichter, F. / Blomberg, R. / Khare, S.D. / Kiss, G. / Kuzin, A.P. / Smith, A.J. / Gallaher, J. / Pianowski, Z. / Helgeson, R.C. / Grjasnow, A. ...Richter, F. / Blomberg, R. / Khare, S.D. / Kiss, G. / Kuzin, A.P. / Smith, A.J. / Gallaher, J. / Pianowski, Z. / Helgeson, R.C. / Grjasnow, A. / Xiao, R. / Seetharaman, J. / Su, M. / Vorobiev, S. / Lew, S. / Forouhar, F. / Kornhaber, G.J. / Hunt, J.F. / Montelione, G.T. / Tong, L. / Houk, K.N. / Hilvert, D. / Baker, D.
External linksJ. Am. Chem. Soc. / PubMed:22871159
MethodsX-ray diffraction
Resolution1.6 - 3.232 Å
Structure data

PDB-3u13:
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3u1o:
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
Method: X-RAY DIFFRACTION / Resolution: 2.494 Å

PDB-3u1v:
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
Method: X-RAY DIFFRACTION / Resolution: 2.797 Å

PDB-3uak:
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
Method: X-RAY DIFFRACTION / Resolution: 3.232 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MG:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • synthetic construct (others)
KeywordsHYDROLASE / Structural Genomics / PSI-Biology / Protein Structure Initiative / Northeast Structural Genomics Consortium / NESG / ECH13 / ECH19 / Unknown Function / FR29 / De Novo design / TRANSFERASE / ECH14

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