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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: 15035

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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_09677

RMSD against lowest energy structure for all residues

StructureScore
S_09677.pdb9.9369
S_05520.pdb7.1482
S_08088.pdb7.3367
S_03481.pdb10.0643
S_07593.pdb7.8885
S_01353.pdb5.6692
S_02958.pdb8.6151
S_09748.pdb8.8637
S_05986.pdb6.5271
S_04919.pdb6.6259
Averaged Ca-rmsd7.868 +/- 1.477

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

StructureScore
S_09677.pdb2.3706
S_05520.pdb2.0512
S_08088.pdb2.0597
S_03481.pdb2.3540
S_07593.pdb1.9336
S_01353.pdb2.0768
S_02958.pdb2.0119
S_09748.pdb2.2873
S_05986.pdb2.3514
S_04919.pdb2.6380
Averaged Ca-rmsd2.213 +/- 0.220

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