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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 Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65..

BMRB ID: 15089

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Graph for Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65.

Lowest energy structure: S_0018_275_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0018_275_0001.pdb1.7893
S_0013_308_0001.pdb1.8837
S_0004_230_0001.pdb2.2306
S_0015_72_0001.pdb1.8176
S_0008_190_0001.pdb2.1953
S_0024_355_0001.pdb2.0703
S_0024_76_0001.pdb1.8307
S_0021_133_0001.pdb8.7266
S_0012_358_0001.pdb2.2090
S_0024_54_0001.pdb8.4141
Averaged Ca-rmsd3.317 +/- 2.775

RMSD against lowest energy structure for residues 1-21, 23-82, 84-89

StructureScore
S_0018_275_0001.pdb1.4990
S_0013_308_0001.pdb1.6378
S_0004_230_0001.pdb1.9682
S_0015_72_0001.pdb1.5963
S_0008_190_0001.pdb1.8874
S_0024_355_0001.pdb1.7992
S_0024_76_0001.pdb1.5435
S_0021_133_0001.pdb7.8407
S_0012_358_0001.pdb1.9728
S_0024_54_0001.pdb7.3215
Averaged Ca-rmsd2.907 +/- 2.473

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