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 Structure of the UBA Domain from Cbl-b.

BMRB ID: 15111

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Graph for Solution Structure of the UBA Domain from Cbl-b

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_02770

RMSD against lowest energy structure for all residues

Structure Score
S_02770.pdb 1.9202
S_03366.pdb 2.4782
S_09888.pdb 2.1054
S_06889.pdb 2.6031
S_01593.pdb 1.6005
S_04916.pdb 1.5939
S_09908.pdb 2.0577
S_03166.pdb 1.8462
S_03226.pdb 1.5415
S_07266.pdb 3.0374
Averaged Ca-rmsd 2.078 +/- 0.493

RMSD against lowest energy structure for residues 5-46

Structure Score
S_02770.pdb 0.8854
S_03366.pdb 1.0878
S_09888.pdb 0.9398
S_06889.pdb 1.1097
S_01593.pdb 0.8681
S_04916.pdb 0.9291
S_09908.pdb 1.0603
S_03166.pdb 0.9685
S_03226.pdb 0.8357
S_07266.pdb 1.9036
Averaged Ca-rmsd 1.059 +/- 0.311

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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