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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 NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538..

BMRB ID: 15167

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Graph for NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538.

Lowest energy structure: S_0003_352_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0003_352_0001.pdb2.1128
S_0018_345_0001.pdb1.7317
S_0015_179_0001.pdb1.8804
S_0003_86_0001.pdb2.7484
S_0020_340_0001.pdb2.7432
S_0017_274_0001.pdb2.8040
S_0019_112_0001.pdb2.4950
S_0005_42_0001.pdb1.7453
S_0019_390_0001.pdb3.0088
S_0008_23_0001.pdb2.5046
Averaged Ca-rmsd2.377 +/- 0.473

RMSD against lowest energy structure for residues 1-130

StructureScore
S_0003_352_0001.pdb1.6375
S_0018_345_0001.pdb1.3972
S_0015_179_0001.pdb1.5044
S_0003_86_0001.pdb2.6243
S_0020_340_0001.pdb1.9173
S_0017_274_0001.pdb2.6565
S_0019_112_0001.pdb1.4355
S_0005_42_0001.pdb1.5478
S_0019_390_0001.pdb1.3019
S_0008_23_0001.pdb1.7608
Averaged Ca-rmsd1.778 +/- 0.488

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