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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, 13C, and 15N Chemical Shift Assignments for CutA1 from E. coli.

BMRB ID: 15094

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Graph for 1H, 13C, and 15N Chemical Shift Assignments for CutA1 from E. coli

Lowest energy structure: S_00380

RMSD against lowest energy structure for all residues

StructureScore
S_00380.pdb4.9462
S_01614.pdb4.1152
S_04814.pdb2.3736
S_08556.pdb3.1158
S_08321.pdb2.1346
S_01039.pdb3.0349
S_09683.pdb3.9868
S_01821.pdb3.0224
S_00599.pdb4.0969
S_07214.pdb2.4626
Averaged Ca-rmsd3.329 +/- 0.917

RMSD against lowest energy structure for residues 9-112

StructureScore
S_00380.pdb2.1313
S_01614.pdb2.2512
S_04814.pdb1.1300
S_08556.pdb0.9689
S_08321.pdb1.0631
S_01039.pdb1.6006
S_09683.pdb2.4085
S_01821.pdb1.2191
S_00599.pdb3.6404
S_07214.pdb0.9701
Averaged Ca-rmsd1.738 +/- 0.868

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