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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Solution Structure of the C2 domain of human Smurf2.

BMRB ID: 15306

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Graph for Solution Structure of the C2 domain of human Smurf2

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_09102

RMSD against lowest energy structure for all residues

Structure Score
S_09102.pdb 7.4129
S_09012.pdb 10.1352
S_05603.pdb 9.1830
S_08602.pdb 10.6609
S_03544.pdb 8.5859
S_02334.pdb 8.8698
S_03875.pdb 7.9799
S_06082.pdb 9.4566
S_09248.pdb 12.3472
S_07029.pdb 13.9526
Averaged Ca-rmsd 9.858 +/- 2.011

RMSD against lowest energy structure for residues 5-5, 7-7, 23-47, 49-61

Structure Score
S_09102.pdb 4.9154
S_09012.pdb 3.5637
S_05603.pdb 2.2886
S_08602.pdb 2.4384
S_03544.pdb 2.3294
S_02334.pdb 2.4739
S_03875.pdb 2.3833
S_06082.pdb 2.9757
S_09248.pdb 2.5768
S_07029.pdb 3.6018
Averaged Ca-rmsd 2.955 +/- 0.846

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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Citation information:

"Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples" Oliver F. Lange; Paolo Rossi; Nikolaos G. Sgourakis; Yifan Song; Hsiau-Wei Lee; James M. Aramini; Asli Ertekin; Rong Xiao; Thomas B. Acton; Gaetano T. Montelione; David Baker; Proceedings of the National Academy of Sciences 109(27) 10873-10878 (2012) doi: 10.1073/pnas.1203013109

"De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds," Yang Shen; Philip N. Bryan; Yanan He; John Orban; David Baker; Ad Bax; Protein Science 19, 349-356 (2010) doi: 10.1002/pro.303

"De novo protein structure generation from incomplete chemical shift assignments," Yang Shen; Robert Vernon; David Baker; Ad Bax; J. Biomol. NMR 43, 63-78 (2009) doi: 10.1007/s10858-008-9288-5

"Consistent blind protein structure generation from NMR chemical shift data," Yang Shen; Oliver Lange; Frank Delaglio; Paolo Rossi; James M. Aramini; Gaohua Liu; Alexander Eletsky; Yibing Wu; Kiran K. Singarapu; Alexander Lemak; Alexandr Ignatchenko; Cheryl H. Arrowsmith; Thomas Szyperski; Gaetano T. Montelione; David Baker; Ad Bax; Proceedings of the National Academy of Sciences 105(12) 4685-4690 (2008) doi: 10.1073/pnas.0800256105

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