University of Oulu

Wazir, S., Maksimainen, M. M., & Lehtiö, L. (2020). Multiple crystal forms of human MacroD2. Acta Crystallographica Section F Structural Biology Communications, 76(10), 477–482.

Multiple crystal forms of human MacroD2

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Author: Wazir, Sarah1; Maksimainen, Mirko M.1; Lehtiö, Lari1
Organizations: 1Faculty of Biochemistry and Molecular Medicine, University of Oulu, P.O.Box 5400, Oulu, Finland, 90014, Finland
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 1.3 MB)
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Language: English
Published: John Wiley & Sons, 2020
Publish Date: 2020-12-03


MacroD2 is one of the three human macrodomain proteins characterized by their protein-linked mono-ADP-ribosyl-hydrolyzing activity. MacroD2 is a single-domain protein that contains a deep ADP-ribose-binding groove. In this study, new crystallization conditions for MacroD2 were found and three crystal structures of human MacroD2 in the apo state were solved in space groups P4₁2₁2, P43212 and P4₃, and refined at 1.75, 1.90 and 1.70 Å resolution, respectively. Structural comparison of the apo crystal structures with the previously reported crystal structure of MacroD2 in complex with ADP-ribose revealed conformational changes in the side chains of Val101, Ile189 and Phe224 induced by the binding of ADP-ribose in the active site. These conformational variations may potentially facilitate design efforts of a MacroD2 inhibitor.

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Series: Acta crystallographica. Section F, Structural biology communications
ISSN: 2053-230X
ISSN-E: 2053-230X
ISSN-L: 2053-230X
Volume: 76
Pages: 477 - 482
DOI: 10.1107/S2053230X20011309
Type of Publication: A1 Journal article – refereed
Field of Science: 1182 Biochemistry, cell and molecular biology
Funding: This work was funded by Academy of Finland (grant Nos.287063 and 294085) and by the Sigrid Juse ́lius Foundation.
Academy of Finland Grant Number: 287063
Detailed Information: 287063 (Academy of Finland Funding decision)
294085 (Academy of Finland Funding decision)
Copyright information: © 2020 International Union of Crystallography. The final authenticated version is available online at