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2a3j, 20 NMR models ()
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml


Structure of URNdesign, a complete computational redesign of human U1A protein

Publication Abstract from PubMed

Achieving atomic-level resolution in the computational design of a protein structure remains a challenging problem despite recent progress. Rigorous experimental tests are needed to improve protein design algorithms, yet studies of the structure and dynamics of computationally designed proteins are very few. The NMR structure and backbone dynamics of a redesigned protein of 96 amino acids are compared here with the design target, human U1A protein. We demonstrate that the redesigned protein reproduces the target structure to within the uncertainty of the NMR coordinates, even as 65 out of 96 amino acids were simultaneously changed by purely computational methods. The dynamics of the backbone of the redesigned protein also mirror those of human U1A, suggesting that the protein design algorithm captures the shape of the potential energy landscape in addition to the local energy minimum.

High-resolution structural validation of the computational redesign of human U1A protein., Dobson N, Dantas G, Baker D, Varani G, Structure. 2006 May;14(5):847-56. PMID:16698546

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

2a3j is a 1 chain structure with sequence from Homo sapiens. Full experimental information is available from OCA.

See Also


  • Dobson N, Dantas G, Baker D, Varani G. High-resolution structural validation of the computational redesign of human U1A protein. Structure. 2006 May;14(5):847-56. PMID:16698546 doi:10.1016/j.str.2006.02.011

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