2a3j: Difference between revisions

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[[Image:2a3j.gif|left|200px]]<br />

[[Image:2a3j.gif|left|200px]]<br /><applet load="2a3j" size="350" color="white" frame="true" align="right" spinBox="true"

<applet load="2a3j" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

caption="2a3j" />

'''Structure of URNdesign, a complete computational redesign of human U1A protein'''<br />

==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.

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 [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=2A3J OCA].

2A3J is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A3J OCA].

==Reference==

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[[Category: u1a]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Mon Nov 12 20~~:45:~~44 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:23:21 2008''

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@@ Line 1: / Line 1: @@
-[[Image:2a3j.gif|left|200px]]<br />
+[[Image:2a3j.gif|left|200px]]<br /><applet load="2a3j" size="350" color="white" frame="true" align="right" spinBox="true"
-<applet load="2a3j" size="450" color="white" frame="true" align="right" spinBox="true"
 caption="2a3j" />
 '''Structure of URNdesign, a complete computational redesign of human U1A protein'''<br />
 ==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.
+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==
-A3J is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2A3J OCA].
+A3J is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A3J OCA].
 ==Reference==
@@ Line 22: / Line 21: @@
 [[Category: u1a]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 20:45:44 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:23:21 2008''