4RG4

Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation

Summary for 4RG4

Entry DOI	10.2210/pdb4rg4/pdb
Related	3GWD 3GWF 3UCL 4RG3
Descriptor	Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (6 entities in total)
Functional Keywords	baeyer-villiger monooxygenase, baeyer-villiger oxidation, biocatalysis, flavoprotein, green chemistry, protein engineering, rossmann fold, oxidoreductase, fad, nadph, cyclohexanone, oxygen, glutaraldehyde crystal cross-linking, cytosolic (bacterial)
Biological source	Rhodococcus sp. HI-31
Total number of polymer chains	1
Total formula weight	62651.94
Authors	Yachnin, B.J.,Berghuis, A.M. (deposition date: 2014-09-29, release date: 2014-10-15, Last modification date: 2023-09-20)
Primary citation	Yachnin, B.J.,McEvoy, M.B.,MacCuish, R.J.,Morley, K.L.,Lau, P.C.,Berghuis, A.M. Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis. Acs Chem.Biol., 9:2843-2851, 2014 Cited by PubMed: 25265531 DOI: 10.1021/cb500442e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.51 Å)

Structure validation