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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 ERCC1 central domain.

BMRB ID: 15240

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Graph for Solution structure of the ERCC1 central domain

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_02492

RMSD against lowest energy structure for all residues

Structure Score
S_02492.pdb 1.5597
S_04870.pdb 2.3070
S_00131.pdb 1.7807
S_09691.pdb 1.5168
S_07332.pdb 2.9408
S_04169.pdb 3.2424
S_09550.pdb 1.6438
S_06298.pdb 1.4798
S_06290.pdb 2.4449
S_06127.pdb 1.9659
Averaged Ca-rmsd 2.088 +/- 0.625

RMSD against lowest energy structure for residues 2-129

Structure Score
S_02492.pdb 0.8127
S_04870.pdb 1.1588
S_00131.pdb 1.0986
S_09691.pdb 0.8682
S_07332.pdb 1.8478
S_04169.pdb 1.7627
S_09550.pdb 1.0126
S_06298.pdb 0.9839
S_06290.pdb 0.8579
S_06127.pdb 1.3494
Averaged Ca-rmsd 1.175 +/- 0.369

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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