Biological Magnetic Resonance Data Bank

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 protein , Northeastprotein yxeF Structural Genomics Consortium target Sr500a.

BMRB ID: 15211

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Graph for Solution NMR structure of protein , Northeastprotein yxeF Structural Genomics Consortium target Sr500a

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_0005_133_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0005_133_0001.pdb 4.4479
S_0017_320_0001.pdb 6.7346
S_0015_261_0001.pdb 5.7151
S_0014_258_0001.pdb 5.9673
S_0008_294_0001.pdb 6.8326
S_0001_93_0001.pdb 4.8875
S_0015_401_0001.pdb 7.3802
S_0003_9_0001.pdb 6.2661
S_0009_164_0001.pdb 4.1504
S_0004_222_0001.pdb 5.0919
Averaged Ca-rmsd 5.747 +/- 1.082

RMSD against lowest energy structure for residues 18-71, 73-77, 85-89, 96-96, 98-98

Structure Score
S_0005_133_0001.pdb 1.9416
S_0017_320_0001.pdb 2.0449
S_0015_261_0001.pdb 2.1741
S_0014_258_0001.pdb 2.5552
S_0008_294_0001.pdb 5.1101
S_0001_93_0001.pdb 3.6809
S_0015_401_0001.pdb 2.2157
S_0003_9_0001.pdb 3.2648
S_0009_164_0001.pdb 2.8868
S_0004_222_0001.pdb 2.5171
Averaged Ca-rmsd 2.839 +/- 0.972

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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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

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