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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: 15023

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

Lowest energy structure: S_01556

RMSD against lowest energy structure for all residues

StructureScore
S_01556.pdb6.6586
S_05465.pdb4.7000
S_01974.pdb10.2121
S_07731.pdb6.2349
S_03762.pdb3.7500
S_02301.pdb5.7166
S_04944.pdb4.4533
S_00044.pdb4.5278
S_08085.pdb4.5737
S_04060.pdb3.7227
Averaged Ca-rmsd5.455 +/- 1.940

RMSD against lowest energy structure for residues 42-80

StructureScore
S_01556.pdb1.6913
S_05465.pdb2.4606
S_01974.pdb2.4001
S_07731.pdb1.7227
S_03762.pdb1.6336
S_02301.pdb1.5034
S_04944.pdb1.6814
S_00044.pdb2.3175
S_08085.pdb1.8527
S_04060.pdb1.4334
Averaged Ca-rmsd1.870 +/- 0.380

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

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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