Structure and diffusive dynamics of Aspartate α-decarboxylase (ADC) liganded with D-Serine in aqueous solution

DOI: 10.1039/D2CP02063G

Authors: Tushar Raskar (Institut Max von Laue - Paul Langevin; Partnership for Structural Biology; Universitat Hamburg) , Stephan Niebling (Universitat Hamburg; European Molecular Biology Laboratory) , Juliette M. Devos (Institut Max von Laue - Paul Langevin; Partnership for Structural Biology) , Briony A. Yorke (University of Bradford) , Michael Haertlein (Institut Max von Laue - Paul Langevin; Partnership for Structural Biology) , Nils Huse (Universitat Hamburg) , V. Trevor Forsyth (Institut Max von Laue - Paul Langevin; Partnership for Structural Biology; Keele University) , Tilo Seydel (Institut Max von Laue - Paul Langevin) , Arwen R. Pearson (Universitat Hamburg)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics

State: Published (Approved)
Published: August 2022
Diamond Proposal Number(s): 6386

Abstract: Incoherent neutron spectroscopy, in combination with dynamic light scattering, was used to investigate the effect of ligand binding on the center-of-mass self-diffusion and internal diffusive dynamics of Escherichia coli aspartate α-decarboxylase (ADC). The X-ray crystal structure of ADC in complex with the D-Serine inhibitor was also determined, and molecular dynamics simulations were used to further probe the structural rearrangements that occur as a result of ligand binding. These experiments reveal that D-Serine forms hydrogen bonds with some of the active site residues, that higher order oligomers of the ADC tetramer exist on ns-ms time-scales, and also show that ligand binding both affects the ADC internal diffusive dynamics and appears to further increase the size of the higher order oligomers.

Diamond Keywords: Enzymes

Subject Areas: Chemistry, Biology and Bio-materials


Instruments: I24-Microfocus Macromolecular Crystallography

Other Facilities: IN16B, IN5 at ILL

Added On: 16/08/2022 20:01

Discipline Tags:

Biochemistry Chemistry Structural biology Life Sciences & Biotech

Technical Tags:

Diffraction Macromolecular Crystallography (MX)