Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution

Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.

MINAQTQLYGVIGFPVKHSLSPVFQNALIRYAGLNAVYLAFEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYV
EDTAKEIGAVNTVKFENGKAYGYNTDWIGFLKSLKSLIPEVKEKSILVLGAGGASRAVIYALVKEGAKVFLWNRTKEKAI
KLAQKFPLEVVNSPEEVIDKVQVIVNTTSVGLKDEDPEIFNYDLIKKDHVVVDIIYKETKLLKKAKEKGAKLLDGLPMLL
WQGIEAFKIWNGCEVPYSVAERSVRDLRG

12% PEG20K, 0.1M MES (pH 6.4-6.6), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

SEQUENCE
Based on the electron density, especially the annealed
omit maps, the authors believe residue 195 in their
structure is Glu and not Lys, residue 233 in their
structure is Leu and not Phe, as it is in the UNP database.

shikimate pathway, shikimate dehydrogenase, drug design, oxidoreductase

MINAQTQLYGVIGFPVKHSLSPVFQNALIRYAGLNAVYLAFEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYV
EDTAKEIGAVNTVKFENGKAYGYNTDWIGFLKSLKSLIPEVKEKSILVLGAGGASRAVIYALVKEGAKVFLWNRTKEKAI
KLAQKFPLEVVNSPEEVIDKVQVIVNTTSVGLKDKDPEIFNYDLIKKDHVVVDIIYKETKLLKKAKEKGAKLFDGLPMLL
WQGIEAFKIWNGCEVPYSVAERSVRDLRG