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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 NMR resonance assignments of Sec95Cys MsrB1 protein.

BMRB ID: 15193

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Graph for 1H, 13C, and 15N NMR resonance assignments of Sec95Cys MsrB1 protein

Lowest energy structure: S_0019_108_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0019_108_0001.pdb5.0414
S_0012_364_0001.pdb5.2798
S_0013_206_0001.pdb8.2735
S_0003_188_0001.pdb6.2127
S_0017_345_0001.pdb9.4314
S_0014_61_0001.pdb7.4723
S_0023_255_0001.pdb7.2775
S_0001_70_0001.pdb11.4825
S_0001_53_0001.pdb7.7034
S_0004_15_0001.pdb6.2340
Averaged Ca-rmsd7.441 +/- 1.957

RMSD against lowest energy structure for residues 42-42, 44-88

StructureScore
S_0019_108_0001.pdb2.0600
S_0012_364_0001.pdb2.1476
S_0013_206_0001.pdb2.4164
S_0003_188_0001.pdb2.0481
S_0017_345_0001.pdb3.0898
S_0014_61_0001.pdb1.9562
S_0023_255_0001.pdb4.4198
S_0001_70_0001.pdb2.7871
S_0001_53_0001.pdb3.3515
S_0004_15_0001.pdb2.3234
Averaged Ca-rmsd2.660 +/- 0.778

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