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4.2.3.4: 3-dehydroquinate synthase

This is an abbreviated version!
For detailed information about 3-dehydroquinate synthase, go to the full flat file.

Word Map on EC 4.2.3.4

Reaction

3-deoxy-D-arabino-hept-2-ulosonate 7-phosphate
=
3-dehydroquinate
 +
phosphate

Synonyms

3-dehydroquinate synthase, 3-dehydroquinate synthetase, 3-dehydroquinic acid synthetase, 5-dehydroquinate synthase, 5-dehydroquinic acid synthetase, aroB, dehydroquinate synthase, dehydroquinate synthetase, DHQ synthase, DHQS, EC 4.6.1.3, hpDHQS, synthase, 5-dehydroquinate, Xoo1243

ECTree

     4 Lyases
         4.2 Carbon-oxygen lyases
             4.2.3 Acting on phosphates
                4.2.3.4 3-dehydroquinate synthase

Crystallization

Crystallization on EC 4.2.3.4 - 3-dehydroquinate synthase

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CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
molecular replacement based on the structure of Aspergillus nidulans enzyme, PDB code 1NR5, revealing a homodimeric protein. Each monomer has a NAD+ binding site nestled between the distinct N- and C-terminal domains
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sitting-drop vapour-diffusion crystallisation at 4°C utilising microbridges, crystals of unliganded enzyme as well as in complexes with NAD+, the substrate analogue [1R-(1alpha,3beta,4alpha,5beta)]-5-phosphonomethyl-1,3,4-trihydroxycyclohexane-1-carboxylic acid and together with both, NAD+ and [1R-(1alpha,3beta,4alpha,5beta)]-5-phosphonomethyl-1,3,4-trihydroxycyclohexane-1-carboxylic acid
sitting-drop vapour-diffusion, crystals of unliganded enzyme, binary complexes with either the substrate analogue, carbaphosphonate or the cofactor NADH, as well as the ternary enzyme-carbaphosphonate-cofactor complex
sitting-drop vapour-diffusion, structure at 1.7 A resolution
obtained in a solution containing 20 mM NAD+
structure in complex with NAD and with NAD plus chlorogenic acid. Chlorogenic acid occupies the substrate position and coordinates with the metal ion in the substrate-binding pocket
X6Q997
sitting-drop vapour-diffusion crystallisation at 4°C utilising microbridges, crystals of unliganded enzyme as well as in complexes with NAD, the substrate analogue [1R-(1alpha,3beta,4alpha,5beta)]-5-phosphonomethyl-1,3,4-trihydroxycyclohexane-1-carboxylic acid and together with both, NAD and [1R-(1alpha,3beta,4alpha,5beta)]-5-phosphonomethyl-1,3,4-trihydroxycyclohexane-1-carboxylic acid
oil microbatch method, homodimer 1.8 A resolution
by using the hanging-drop vapour-diffusion method with different screening kits, yields crystals belonging to the tetragonal space group, crystals of DHQS obtained in sitting-drop setups using a hydra automated high-throughput crystal screening machine with different screening kits: (a) 0.1 M sodium malonate pH 4.0, 12% PEG 3350, (b) 0.2 M sodium malonate pH 6.0, 20% PEG 3350, (c) 0.1 M Tris pH 8.5, 2.0 M ammonium sulfate, (d) 0.15 M caesium chloride, 15% PEG 3350, (e) 1.0 M sodium citrate, 0.1 M CHES pH 9.5, (f) 0.2 M ammonium sulfate, 0.1 M bis-Tris pH 5.5, 25% PEG 3350, (g) 0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEG MME 5000, (h) 0.02 M zinc chloride, 20% PEG 3350. Best crystals are obtained after two weeks from a reservoir containing 0.2 M ammonium sulfate, 0.1 M MES monohydrate pH 6.0 and 31%PEG MME 5000
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