PDBsum entry 6y4z

Hydrolase

PDB id: 6y4z

Contents

Protein chains

221 a.a.

Ligands

TLA

Waters ×440

References listed in PDB file

Key reference

• Title: Multiple crystal forms of human macrod2.
• Authors: S.Wazir, M.M.Maksimainen, L.Lehtiö.
• Ref.: Acta Crystallogr F Struct Biol Commun, 2020, 76, 477-482. [DOI no: 10.1107/S2053230X20011309]
• PubMed id: 33006575

Abstract

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.