4d5e

Crystal Structure of recombinant wildtype CDH

spinqualitylabelsall models 4d5e, resolution 1.43Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4d5e is a 2 chain structure with sequence from Azoarcus olearius. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.43Å Ligands: 1PG, 2PE, CL, FAD, MES, MG, P6G, PEG, PG4, TPP Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function CHDH_AZOSP Catalyzes the ring-opening cleavage of the alicyclic alcohol cyclohexane-1,2-dione.[REFERENCE:1] Publication Abstract from PubMed ThDP-dependent cyclohexane-1,2-dione hydrolase (CDH) catalyzes the CC bond cleavage of cyclohexane-1,2-dione to 6-oxohexanoate, and the asymmetric benzoin condensation between benzaldehyde and pyruvate. One of the two reactivities of CDH was selectively knocked down by mutation experiments. CDH-H28A is much less able to catalyze the CC bond formation, while the ability for CC bond cleavage is still intact. The double variant CDH-H28A/N484A shows the opposite behavior and catalyzes the addition of pyruvate to cyclohexane-1,2-dione, resulting in the formation of a tertiary alcohol. Several acyloins of tertiary alcohols are formed with 54-94 % enantiomeric excess. In addition to pyruvate, methyl pyruvate and butane-2,3-dione are alternative donor substrates for CC bond formation. Thus, the very rare aldehyde-ketone cross-benzoin reaction has been solved by design of an enzyme variant. Extended reaction scope of thiamine diphosphate dependent cyclohexane-1,2-dione hydrolase: from C-C bond cleavage to C-C bond ligation.,Loschonsky S, Wacker T, Waltzer S, Giovannini PP, McLeish MJ, Andrade SL, Muller M Angew Chem Int Ed Engl. 2014 Dec 22;53(52):14402-6. doi: 10.1002/anie.201408287. , Epub 2014 Nov 7. PMID:25382418 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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