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© Research
Publication : Proteins

Influence of different assignment conditions on the determination of symmetric homodimeric structures with ARIA

Team: Structural Bioinformatics
Team: Functional dynamics
Member: Benjamin Bardiaux
Member: Michael Nilges
Member: Thérèse Malliavin
Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Proteins - 15 May 2009

Bardiaux B, Bernard A, Rieping W, Habeck M, Malliavin TE, Nilges M

Link to Pubmed [PMID] – 18951392

Proteins 2009 May;75(3):569-85

The ambiguous restraint for iterative assignment (ARIA) approach for NMR structure calculation is evaluated for symmetric homodimeric proteins by assessing the effect of several data analysis and assignment methods on the structure quality. In particular, we study the effects of network anchoring and spin-diffusion correction. The spin-diffusion correction improves the protein structure quality systematically, whereas network anchoring enhances the assignment efficiency by speeding up the convergence and coping with highly ambiguous data. For some homodimeric folds, network anchoring has been proved essential for unraveling both chain and proton assignment ambiguities.