Sharma, Mahima orcid.org/0000-0003-3960-2212, Williams, Adam, Gonzalez-Martinez, Daniel et al. (2 more authors) (2023) Structure of the Imine Reductase from Ajellomyces dermatitidis in Three Crystal Forms. Acta Crystallographica Section F: Structural Biology Communications. ISSN 2053-230X
Abstract
The NADPH-Dependent Imine Reductase from Ajellomyces dermatitidis (AdRedAm) catalyzes the reductive amination of certain ketones with amine donors, supplied in an equimolar ratio. We have determined the structure of AdRedAm in three forms. The first, in space group P3121, refined to 2.01 Å resolution, features two molecules (one dimer) in the asymmetric unit (asu), in complex with the redox inactive cofactor NADPH4. The second, in space group C21 and refined to 1.73 Å, has nine molecules (four and a half dimers) in the asu, each with NADP+. The third, space group P3121 and refined to 1.52 Å, had one molecule (one half-dimer) in the asu. The third structure was again in complex with NADP+ but also with the substrate 2,2-difluoroacetophenone. The different datasets permit analysis of AdRedAm in different conformational states and also reveal the molecular basis of stereoselectivity in the transformation of fluorinated acetophenone substrates by the enzyme.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Funding Information: | Funder Grant number BBSRC (BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL) BB/T017805/1 |
Depositing User: | Pure (York) |
Date Deposited: | 16 Aug 2023 11:50 |
Last Modified: | 07 Jan 2025 12:10 |
Published Version: | https://doi.org/10.1107/S2053230X23006672 |
Status: | Published online |
Refereed: | Yes |
Identification Number: | 10.1107/S2053230X23006672 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:202515 |
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Filename: no5202.pdf
Description: Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms
Licence: CC-BY 2.5