8BP1

Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction

Summary for 8BP1

Entry DOI	10.2210/pdb8bp1/pdb
Descriptor	BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ACETATE ION, ... (6 entities in total)
Functional Keywords	morita-baylis-hillman, non-canonical amino acid, methylhistidine, de novo enzyme, biosynthetic protein
Biological source	synthetic construct
Total number of polymer chains	1
Total formula weight	28005.64
Authors	Hardy, F.J. (deposition date: 2022-11-15, release date: 2024-02-28, Last modification date: 2024-03-13)
Primary citation	Hutton, A.E.,Foster, J.,Crawshaw, R.,Hardy, F.J.,Johannissen, L.O.,Lister, T.M.,Gerard, E.F.,Birch-Price, Z.,Obexer, R.,Hay, S.,Green, A.P. A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme. Nat Commun, 15:1956-1956, 2024 Cited by PubMed: 38438341 DOI: 10.1038/s41467-024-46123-z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.72 Å)

Structure validation