Structural modeling of proteins by integrating small-angle x-ray scattering data

doi:10.1088/1674-1056/24/12/126101

Abstract

Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an “integrative structural biology” approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high-and low-resolution experimental data using computer simulations. Small-angle x-ray scattering (SAXS) is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin.

Keywords: protein structure flexibility computer simulations small-angle x-ray scattering integrative modeling

Received: 29 April 2015
Revised: 14 July 2015
Accepted manuscript online:

PACS:	61.05.cf	(X-ray scattering (including small-angle scattering))
	87.14.E-	(Proteins)
	87.15.ap	(Molecular dynamics simulation)

Fund:

Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB910203 and 2011CB911104), the National Natural Science Foundation of China (Grant No. 31270760), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB08030102), and the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20113402120013).

Corresponding Authors: Zhang Zhi-Yong
E-mail: zzyzhang@ustc.edu.cn

Cite this article:

Zhang Yong-Hui (张泳辉), Peng Jun-Hui (彭俊辉), Zhang Zhi-Yong (张志勇) Structural modeling of proteins by integrating small-angle x-ray scattering data 2015 Chin. Phys. B 24 126101

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