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American Chemical Society, Journal of Proteome Research, 6(4), p. 1961-1971, 2005

DOI: 10.1021/pr050148n

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Principal Component Analysis of the Conformational Freedom within the EF-Hand Superfamily

This paper is available in a repository.
This paper is available in a repository.

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Abstract

A database of nonredundant structures of EF-hand domains--i.e., pairs of helix-loop-helix motifs--has been assembled, and the six angles among the four helices re-determined. A principal component analysis of these angles allows us to use two such components (PC1 and PC2) to describe the system retaining 80% of the total variance. A PC2 against PC1 plot representation allows us to represent in a compact way the full range of structural diversity of EF-hand domains, their grouping into protein families, and the variation for each family upon calcium and peptide binding.