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TitleCrystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP-dependent vitamin kinase family members.
Journal, issue, pagesProtein Sci., Vol. 30, Page 842-854, Year 2021
Publish dateDec 11, 2020 (structure data deposition date)
AuthorsGonzalez-Ordenes, F. / Bravo-Moraga, F. / Gonzalez, E. / Hernandez-Cabello, L. / Alzate-Morales, J. / Guixe, V. / Castro-Fernandez, V.
External linksProtein Sci. / PubMed:33555078
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-7l07:
Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-AF3:
ALUMINUM FLUORIDE

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
KeywordsTRANSFERASE / Ancestral sequence reconstruction / Hydroxymethylpyrimidine Kinase / Pyridoxal Kinase

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