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Structure paper

TitleAutomated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Journal, issue, pagesMol. Cell, Vol. 72, Page 178-186.e5, Year 2018
Publish dateApr 15, 2018 (structure data deposition date)
AuthorsKhersonsky, O. / Lipsh, R. / Avizemer, Z. / Ashani, Y. / Goldsmith, M. / Leader, H. / Dym, O. / Rogotner, S. / Trudeau, D.L. / Prilusky, J. ...Khersonsky, O. / Lipsh, R. / Avizemer, Z. / Ashani, Y. / Goldsmith, M. / Leader, H. / Dym, O. / Rogotner, S. / Trudeau, D.L. / Prilusky, J. / Amengual-Rigo, P. / Guallar, V. / Tawfik, D.S. / Fleishman, S.J.
External linksMol. Cell / PubMed:30270109
MethodsX-ray diffraction
Resolution1.63 - 1.95 Å
Structure data

PDB-6gbj:
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-6gbk:
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6gbl:
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-CAC:
CACODYLATE ION

Source
  • brevundimonas diminuta (bacteria)
KeywordsHYDROLASE / Phosphotriesterase

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