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Protein Structure Determination by Assembling Super-Secondary Structure Motifs Using Pseudocontact Shifts

Pilla, Kala; Otting, Gottfried; Huber, Thomas


Computational and nuclear magnetic resonance hybrid approaches provide efficient tools for 3D structure determination of small proteins, but currently available algorithms struggle to perform with larger proteins. Here we demonstrate a new computational algorithm that assembles the 3D structure of a protein from its constituent super-secondary structural motifs (Smotifs) with the help of pseudocontact shift (PCS) restraints for backbone amide protons, where the PCSs are produced from different...[Show more]

CollectionsANU Research Publications
Date published: 2017-03-07
Type: Journal article
Source: Structure
DOI: 10.1016/j.str.2017.01.011


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