7WKQ
Crystal Structure of halohydrin dehalogenase from Acidimicrobiia bacterium
Summary for 7WKQ
| Entry DOI | 10.2210/pdb7wkq/pdb |
| Descriptor | halohydrin dehalogenase (1 entity in total) |
| Functional Keywords | halohydrin dehalogenase, biosynthetic protein |
| Biological source | Acidimicrobiia bacterium |
| Total number of polymer chains | 4 |
| Total formula weight | 104774.98 |
| Authors | Wan, N.W. (deposition date: 2022-01-10, release date: 2022-02-23, Last modification date: 2023-11-29) |
| Primary citation | Wang, H.H.,Wan, N.W.,Miao, R.P.,He, C.L.,Chen, Y.Z.,Liu, Z.Q.,Zheng, Y.G. Identification and Structure Analysis of an Unusual Halohydrin Dehalogenase for Highly Chemo-, Regio- and Enantioselective Bio-Nitration of Epoxides. Angew.Chem.Int.Ed.Engl., 61:e202205790-e202205790, 2022 Cited by PubMed Abstract: We report the discovery of an unusual halohydrin dehalogenase, HHDHamb, that can work under relatively 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 β-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. PubMed: 35856897DOI: 10.1002/anie.202205790 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.89 Å) |
Structure validation
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