TY - JOUR
T1 - Distance Distribution between Two Iodine Atoms Derived from Small-Angle X-ray Scattering Interferometry for Analyzing a Conformational Ensemble of Heavy Atom-Labeled Small Molecules
AU - Taguchi, Yuya
AU - Saio, Tomohide
AU - Kohda, Daisuke
N1 - Funding Information:
The experiments at SPring-8 (Harima, Japan) were supported by the Platform Project for Supporting Drug Discovery and Life Science Research [Basis for Supporting Innovative Drug Discovery and Life Science Research (BINDS)] from AMED under Grant 1176 to T.S. This work was supported by JSPS KAKENHI Grants JP26119001, JP26119002, and JP19H05452 to D.K. The authors thank Drs. Hiroshi Nonaka and Shinsuke Sando (Graduate School of Engineering, The University of Tokyo, Tokyo, Japan) for the chemical synthesis of N-succinimidyl-4-iodobenzoate. The experiments at the Photon Factory were performed with the approval of the Photon Factory Program Advisory Committee, as Proposal 2017G566 (to T.S.). The authors thank Dr. Nobutaka Shimizu at beamlines BL-6A, BL-10C, and BL-15A2 of the Photon Factory and Dr. Takaaki Hikima at beamline BL-45XU for assistance with the SAXS measurements.
Publisher Copyright:
© 2020 American Chemical Society.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/7/16
Y1 - 2020/7/16
N2 - To obtain unbiased information about the dynamic conformational ensemble of a molecule in solution, one promising approach is small-angle X-ray scattering (SAXS). Conventionally, SAXS data are converted to a pair distribution function, which describes the distance distribution between all pairs of atoms within a molecule. If two strong X-ray scatterers are introduced and the background contributions from the other atoms are suppressed, then the distance distribution between the two scatterers provides spatial information about a flexible molecule. Gold nanocrystals can provide such information for distances of >50 Å. Here, we synthesized a chemical compound containing two iodine atoms attached to the ends of a flexible polyethylene glycol chain and used the relevant singly labeled and unlabeled compounds to suppress the background contribution. This is a feasibility demonstration to prove that the distance distribution in the range of 10-30 Å can be experimentally accessed by SAXS.
AB - To obtain unbiased information about the dynamic conformational ensemble of a molecule in solution, one promising approach is small-angle X-ray scattering (SAXS). Conventionally, SAXS data are converted to a pair distribution function, which describes the distance distribution between all pairs of atoms within a molecule. If two strong X-ray scatterers are introduced and the background contributions from the other atoms are suppressed, then the distance distribution between the two scatterers provides spatial information about a flexible molecule. Gold nanocrystals can provide such information for distances of >50 Å. Here, we synthesized a chemical compound containing two iodine atoms attached to the ends of a flexible polyethylene glycol chain and used the relevant singly labeled and unlabeled compounds to suppress the background contribution. This is a feasibility demonstration to prove that the distance distribution in the range of 10-30 Å can be experimentally accessed by SAXS.
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U2 - 10.1021/acs.jpclett.0c01107
DO - 10.1021/acs.jpclett.0c01107
M3 - Article
C2 - 32558579
AN - SCOPUS:85088235380
SN - 1948-7185
VL - 11
SP - 5451
EP - 5456
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 14
ER -