2a3j
From Proteopedia
OCA (Talk | contribs)
(New page: 200px<br /> <applet load="2a3j" size="450" color="white" frame="true" align="right" spinBox="true" caption="2a3j" /> '''Structure of URNdesign, a complete computat...)
Next diff →
Revision as of 18:39, 12 November 2007
|
Structure of URNdesign, a complete computational redesign of human U1A protein
Overview
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.
About this Structure
2A3J is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
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
Page seeded by OCA on Mon Nov 12 20:45:44 2007
