5XJN

cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate

Summary for 5XJN

• Entry DOI: 10.2210/pdb5xjn/pdb
• Related: 5GWE
• Descriptor: Cytochrome P450, (4-ethylphenyl) dihydrogen phosphate, PROTOPORPHYRIN IX CONTAINING FE, ... (4 entities in total)
• Functional Keywords: cytochrome p450, complex, electron transport
• Biological source: Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025)
• Total number of polymer chains: 1
• Total formula weight: 52033.10

Authors

Dong, S.,Du, L.,Li, S.,Feng, Y. (deposition date: 2017-05-03, release date: 2017-07-12, Last modification date: 2023-11-22)

Primary citation

Du, L.,Dong, S.,Zhang, X.,Jiang, C.,Chen, J.,Yao, L.,Wang, X.,Wan, X.,Liu, X.,Wang, X.,Huang, S.,Cui, Q.,Feng, Y.,Liu, S.J.,Li, S.
Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114:E5129-E5137, 2017

PubMed Abstract: Selective oxidation of aliphatic C-H bonds in alkylphenols serves significant roles not only in generation of functionalized intermediates that can be used to synthesize diverse downstream chemical products, but also in biological degradation of these environmentally hazardous compounds. Chemo-, regio-, and stereoselectivity; controllability; and environmental impact represent the major challenges for chemical oxidation of alkylphenols. Here, we report the development of a unique chemomimetic biocatalytic system originated from the Gram-positive bacterium The system consisting of CreHI (for installation of a phosphate directing/anchoring group), CreJEF/CreG/CreC (for oxidation of alkylphenols), and CreD (for directing/anchoring group offloading) is able to selectively oxidize the aliphatic C-H bonds of - and -alkylated phenols in a controllable manner. Moreover, the crystal structures of the central P450 biocatalyst CreJ in complex with two representative substrates provide significant structural insights into its substrate flexibility and reaction selectivity.

PubMed: 28607077
DOI: 10.1073/pnas.1702317114

Experimental method

X-RAY DIFFRACTION (1.7 Å)