4O5T

Crystal structure of Diels-Alderase CE20 in complex with a product analog

Summary for 4O5T

Entry DOI	10.2210/pdb4o5t/pdb
Related	1E1A 3I1C 3U0S 4O5S
Descriptor	Diisopropyl-fluorophosphatase, 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate (3 entities in total)
Functional Keywords	protein engineering, computer-aided design, diels-alder reaction, enzyme design, directed evolution, substrate specificity, beta-propeller, helix-loop-helix, de novo protein, artificial catalyst, diels-alderase, catalyst for cycloaddition, hydrolase, enzyme-product analog complex'
Biological source	Loligo vulgaris (Common European squid)
Total number of polymer chains	2
Total formula weight	75539.05
Authors	Beck, T.,Preiswerk, N.,Mayer, C.,Hilvert, D. (deposition date: 2013-12-20, release date: 2014-06-04, Last modification date: 2023-11-08)
Primary citation	Preiswerk, N.,Beck, T.,Schulz, J.D.,Milovnik, P.,Mayer, C.,Siegel, J.B.,Baker, D.,Hilvert, D. Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111:8013-8018, 2014 Cited by PubMed: 24847076 DOI: 10.1073/pnas.1401073111 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation