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Open Dataset XSC8YYZC

Macrodomains from VEEV, CHIKV, and EEEV Under ADP-Ribose, Suramin, and Suramin Analog Treatments in NaCl- and KCl-Based Buffer Systems

Abstract

We characterized the solution behavior of isolated nsP3 alphavirus macrodomains from Venezuelan equine encephalitis virus (VEEV), chikungunya virus (CHIKV), and eastern equine encephalitis virus (EEEV) under NaCl and KCl conditions. We also assessed how ADP-ribose, suramin, and a suramin analog influence macrodomain self-association. This work was performed under the Taskforce 5 initiative supported by the U.S. Department of Energy, Offices of Basic Energy Sciences and Advanced Scientific Computing Research, through the Biopreparedness Research Virtual Environment (BRaVE) under Contract No. DE-AC02-05CH11231, specifically Taskforce 5 (DOE-BRAVET5).

Experimental description

Protein samples were provided by the Andrzej Joachimiak group at the Structural Biology Center, X-ray Science Division, Argonne National Laboratory. The samples were expressed in Escherichia coli; additional details on SAXS experimental conditions are provided in XSC8YYZC.csv

File description

SAS files are named as: Alphavirus(C=CHIKV; V=VEEV; E=EEEV)_salt(NaCl or KCl)_protein concentration(0p25, 0p5, 1, 2, 4 = 0.25, 0.5, 1, 2, 4 mg/mL)_treatment(blank/d=DMSO/a=ADPr/sa=suramin analog/s=suramin). XSC8YYZC.zip — archived SAS dataset. XSC8YYZC.csv — detailed description of each SAS data file, including experimental conditions. foxsdock_dimer.pdb — predicted dimer based on E_NaCl_1.dat and the EEEV apo crystal structure, generated using FoXSDock.

Created

2025-12-17

Published

2026-02-03

Data collection technique

HT-SAXS

Journal DOI

Source

Advanced Light Source

Beamline

SIBYLS BL12.3.1

Wavelength

1.24 Å

Sample to Detector Distance

2.083 m

Submitting Author

N. Gora

Lawrence Berkeley National Laboratory

United States of America

Collaborators

Project Leader

G. Hura


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Complete Set of SAS Data Files

The complete SAS dataset is downloadable as a zip file.

Individual SAS Data Files (Total: 78)

These are individual SAS data files that may be raw or processed (merged, etc.). These may or not be included in a zip file containing a larger dataset.

Supplemental Data and Supporting Materials (Total: 2)

These data and materials may include X-ray crystal structure coordinates, multi-angle light scattering data, .etc. It may also include additional details or methods pertaining to the SAXS experiments, or the researcher's interpretations of the results.

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Samples: