6tf8 | pdb_00006tf8

Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one

spinqualitylabelsall models 6tf8, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6tf8 is a 4 chain structure with sequence from Saccharolobus solfataricus P2. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.903Å Ligands: N65 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Controlling regio- and stereoselectivity of aldol additions is generally challenging. Here we show that an artificial aldolase with high specificity for acetone as the aldol donor can be reengineered via single active site mutations to accept linear and cyclic aliphatic ketones with notable efficiency, regioselectivity, and stereocontrol. Biochemical and crystallographic data show how the mutated residues modulate the binding and activation of specific aldol donors, as well as their subsequent reaction with diverse aldehyde acceptors. Broadening the substrate scope of this evolutionarily naive catalyst proved much easier than previous attempts to redesign natural aldolases, suggesting that such proteins may be excellent starting points for the development of customized biocatalysts for diverse practical applications. Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.,Macdonald DS, Garrabou X, Klaus C, Verez R, Mori T, Hilvert D J Am Chem Soc. 2020 Jun 10;142(23):10250-10254. doi: 10.1021/jacs.0c02351. Epub, 2020 May 28. PMID:32427470 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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