Effects of Crowding and Environment on the Evolution of Conformational Ensembles of the Multi-Stimuli-Responsive Intrinsically Disordered Protein, Rec1-Resilin: A Small-Angle Scattering Investigation

2016 ◽  
Vol 120 (27) ◽  
pp. 6490-6503 ◽  
Author(s):  
Rajkamal Balu ◽  
Jitendra P. Mata ◽  
Robert Knott ◽  
Christopher M. Elvin ◽  
Anita J. Hill ◽  
...  
Keyword(s):  
Small Angle ◽  
Intrinsically Disordered Protein ◽  
Small Angle Scattering ◽  
Stimuli Responsive ◽  
Conformational Ensembles ◽  
Intrinsically Disordered ◽  
Disordered Protein ◽  
Angle Scattering

Supercharging SpyCatcher toward an intrinsically disordered protein with stimuli-responsive chemical reactivity

2017 ◽  
Vol 53 (63) ◽  
pp. 8830-8833 ◽  
Author(s):  
Yang Cao ◽  
Dong Liu ◽  
Wen-Bin Zhang
Keyword(s):  
Chemical Reactivity ◽  
Intrinsically Disordered Protein ◽  
Stimuli Responsive ◽  
Intrinsically Disordered ◽  
Disordered Protein

Extensive mutation creates a supercharged, intrinsically disordered protein, SpyCatcher(−), with stimuli-responsive reactivity toward SpyTag.

scholarly journals Small-angle scattering and the protein crystallographer: A relationship of ever-increasing interest

2014 ◽  
Vol 36 (1) ◽  
pp. 44-48 ◽  
Author(s):  
David J. Scott
Keyword(s):  
High Resolution ◽  
Small Angle ◽  
Intrinsically Disordered Proteins ◽  
Structural Information ◽  
Crystallographic Analysis ◽  
Small Angle Scattering ◽  
Disordered Proteins ◽  
Intrinsically Disordered ◽  
Angle Scattering ◽  
Relationship Of

Protein crystallography is one of the great intellectual achievements of the 20th Century, and it continues to open up new vistas of research as scientists are able to visualize in exquisite detail the molecules of Life. It has become increasingly apparent, however, that not all proteins are amenable to crystallographic analysis. These include (but are not confined to) proteins with functional flexible segments, glycoproteins and intrinsically disordered proteins. There are also proteins that, although rigid and folded, refuse to crystallize as an entire full-length construct, and hence high-resolution information has to be pieced together domain by domain. It is into this space that small-angle scattering is increasingly being used as the technique of choice with regard to attainable structural information.

scholarly journals Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Utsab R. Shrestha ◽  
Jeremy C. Smith ◽  
Loukas Petridis
Keyword(s):  
Molecular Dynamics ◽  
Small Angle ◽  
Intrinsically Disordered Proteins ◽  
Chemical Shifts ◽  
Small Angle Scattering ◽  
Disordered Proteins ◽  
Scattering Data ◽  
General Applicability ◽  
Intrinsically Disordered ◽  
Angle Scattering

AbstractMolecular dynamics (MD) simulation is widely used to complement ensemble-averaged experiments of intrinsically disordered proteins (IDPs). However, MD often suffers from limitations of inaccuracy. Here, we show that enhancing the sampling using Hamiltonian replica-exchange MD (HREMD) led to unbiased and accurate ensembles, reproducing small-angle scattering and NMR chemical shift experiments, for three IDPs of varying sequence properties using two recently optimized force fields, indicating the general applicability of HREMD for IDPs. We further demonstrate that, unlike HREMD, standard MD can reproduce experimental NMR chemical shifts, but not small-angle scattering data, suggesting chemical shifts are insufficient for testing the validity of IDP ensembles. Surprisingly, we reveal that despite differences in their sequence, the inter-chain statistics of all three IDPs are similar for short contour lengths (< 10 residues). The results suggest that the major hurdle of generating an accurate unbiased ensemble for IDPs has now been largely overcome.

scholarly journals Small-angle scattering studies of intrinsically disordered proteins and their complexes

2017 ◽  
Vol 42 ◽  
pp. 15-23 ◽  
Author(s):  
Tiago N Cordeiro ◽  
Fátima Herranz-Trillo ◽  
Annika Urbanek ◽  
Alejandro Estaña ◽  
Juan Cortés ◽  
...  
Keyword(s):  
Small Angle ◽  
Intrinsically Disordered Proteins ◽  
Small Angle Scattering ◽  
Disordered Proteins ◽  
Intrinsically Disordered ◽  
Angle Scattering
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