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7wkq

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Crystal Structure of halohydrin dehalogenase from Acidimicrobiia bacterium

Structural highlights

7wkq is a 4 chain structure with sequence from Acidimicrobiia bacterium. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.89Å
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

A0A2G4FD71_9ACTN

Publication Abstract from PubMed

We report the discovery of an unusual halohydrin dehalogenase, HHDHamb, that can work under relative low acidic conditions and extremely low temperatures for the bio-nitration of epoxides using nitrite as a nitrating agent. The bio-nitration strategy exhibits high chemo-, regio-, and enantioselectivity, catalyzing the kinetic resolution of various epoxides to enantiopure beta -nitroalcohols with nitro-bearing stereocenters in up to 41% isolated yield and >99% enantiomeric excess ( ee ). Additionally, the bio-nitration method displays a high reaction efficiency and can be performed on a gram scale. We also solved the crystal structure of HHDHamb to understand the possible structural determinants of chemoselectivity control in the bio-nitration reaction.

Identification and Structure Analysis of an Unusual Halohydrin Dehalogenase for Highly Chemo-, Regio- and Enantioselective Bio-Nitration of Epoxides.,Wang HH, Wan NW, Miao RP, He CL, Chen YZ, Liu ZQ, Zheng YG Angew Chem Int Ed Engl. 2022 Jul 20. doi: 10.1002/anie.202205790. PMID:35856897^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Wang HH, Wan NW, Miao RP, He CL, Chen YZ, Liu ZQ, Zheng YG. Identification and Structure Analysis of an Unusual Halohydrin Dehalogenase for Highly Chemo-, Regio- and Enantioselective Bio-Nitration of Epoxides. Angew Chem Int Ed Engl. 2022 Jul 20. doi: 10.1002/anie.202205790. PMID:35856897 doi:http://dx.doi.org/10.1002/anie.202205790