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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 1H, and 15N Chemical Shift Assignments for the N-terminal domain of Myxococcus xantus CarA protein..

BMRB ID: 15035

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Graph for 1H, and 15N Chemical Shift Assignments for the N-terminal domain of Myxococcus xantus CarA protein.

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_09677

RMSD against lowest energy structure for all residues

Structure Score
S_09677.pdb 9.9369
S_05520.pdb 7.1482
S_08088.pdb 7.3367
S_03481.pdb 10.0643
S_07593.pdb 7.8885
S_01353.pdb 5.6692
S_02958.pdb 8.6151
S_09748.pdb 8.8637
S_05986.pdb 6.5271
S_04919.pdb 6.6259
Averaged Ca-rmsd 7.868 +/- 1.477

RMSD against lowest energy structure for residues 60-60, 62-97

Structure Score
S_09677.pdb 2.3706
S_05520.pdb 2.0512
S_08088.pdb 2.0597
S_03481.pdb 2.3540
S_07593.pdb 1.9336
S_01353.pdb 2.0768
S_02958.pdb 2.0119
S_09748.pdb 2.2873
S_05986.pdb 2.3514
S_04919.pdb 2.6380
Averaged Ca-rmsd 2.213 +/- 0.220

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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