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4.2.1.78: (S)-norcoclaurine synthase

This is an abbreviated version!
For detailed information about (S)-norcoclaurine synthase, go to the full flat file.

Word Map on EC 4.2.1.78

Reaction

4-hydroxyphenylacetaldehyde
+
dopamine
=
(S)-norcoclaurine
 +
H2O

Synonyms

(S)-norcoclaurine synthase, (S)-Norlaudanosoline synthase, AmNCS1, AmNCS2, CCHNCS2, CjNCS1, CjPR10A, CsNCS, More, NCS, NCS1, NCS2, NDONCS3, norcoclaurine synthase, PbNCS, PR10A, PSONCS1, PSONCS2, S-norcoclaurine synthase, Synthase, (S)-norlaudanosoline, TFLNCSDELTA25, TfNCS

ECTree

     4 Lyases
         4.2 Carbon-oxygen lyases
             4.2.1 Hydro-lyases
                4.2.1.78 (S)-norcoclaurine synthase

Crystallization

Crystallization on EC 4.2.1.78 - (S)-norcoclaurine synthase

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CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
at 294 K by the hanging-drop vapour-diffusion method using ammonium sulfate and sodium chloride as precipitant agents and diffract to better than 3.0 A resolution using a synchrotron-radiation source. The crystals belong to the trigonal space group P3121, with unit-cell parameters a = b = 86.31, c = 118.36 A. A selenomethionine derivate is crystallized in the same space group, 2.7 A resolution
combining experimental NMR spectroscopic data with homology modelling using the homologous major birch pollen allergen Bet v 1 (PDB code 1BV1) as template structure a reliable model structure of delta 29NCS is built
-
high-resolution X-ray crystallography. The structure supports two features of the dopamine-first mechanism: the binding of dopamine catechol to Lys-122 and the position of the carbonyl substrate binding site at the active site entrance. The catalytically vital residue Glu-110 occupies a ligand-bound conformation that may be catalytically significant
SeMet derivate of NCS unligated (2VNE) and substrate-bound (2VQ5), by the hanging-drop vapour-diffusion method using ammonium sulfate and sodium chloride as precipitant agents, SeMet NCS: 2.7A resolution, 298K, ammoniumsulfate 1.4-1.8 M, NaCl 0.2 M, acetate buffer pH 4.0-4.5, trigonal space group P3121 with unit cell dimensions a = b = 86.31 A, c = 118.36 A, alpha = beta = 90°, gamma = 120°