All-atom ensemble modeling to analyze small-angle x-ray scattering of glycosylated proteins.

ABSTRACT: The flexible and heterogeneous nature of carbohydrate chains often renders glycoproteins refractory to traditional structure determination methods. Small-angle X-ray scattering (SAXS) can be a useful tool for obtaining structural information of these systems. All-atom modeling of glycoproteins with flexible glycan chains was applied to interpret the solution SAXS data for a set of glycoproteins. For simpler systems (single glycan, with a well-defined protein structure), all-atom modeling generates models in excellent agreement with the scattering pattern and reveals the approximate spatial occupancy of the glycan chain in solution. For more complex systems (several glycan chains, or unknown protein substructure), the approach can still provide insightful models, though the orientations of

SUBMITTER: Guttman M 

PROVIDER: S-EPMC3840220 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature