4PA8

Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions, with a covalently bound product analog

Summary for 4PA8

Entry DOI	10.2210/pdb4pa8/pdb
Related	4a29 4a2r 4a2s
Descriptor	retro-aldolase, (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile, SULFATE ION, ... (5 entities in total)
Functional Keywords	protein engineering, computer-aided design, aldolase, retro-aldolase, michael addition, enzyme design, directed evolution, substrate specificity, de novo protein, artificial catalyst, enzyme-product analog complex, tim-barrel fold, hydrolase
Biological source	Sulfolobus solfataricus
Total number of polymer chains	1
Total formula weight	30517.03
Authors	Beck, T.,Garrabou Pi, X.,Hilvert, D. (deposition date: 2014-04-07, release date: 2015-04-01, Last modification date: 2023-12-20)
Primary citation	Garrabou, X.,Beck, T.,Hilvert, D. A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates. Angew.Chem.Int.Ed.Engl., 54:5609-5612, 2015 Cited by PubMed: 25777153 DOI: 10.1002/anie.201500217 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.2 Å)

Structure validation