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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 chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens.

BMRB ID: 15012

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Graph for chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens

Lowest energy structure: S_00938

RMSD against lowest energy structure for all residues

StructureScore
S_00938.pdb6.1113
S_09401.pdb10.2099
S_08524.pdb8.5856
S_02123.pdb9.9252
S_04401.pdb7.7825
S_07555.pdb8.2456
S_04676.pdb5.6184
S_06091.pdb4.9127
S_09488.pdb4.3873
S_00347.pdb5.9804
Averaged Ca-rmsd7.176 +/- 2.059

RMSD against lowest energy structure for residues 26-100

StructureScore
S_00938.pdb1.8599
S_09401.pdb1.7311
S_08524.pdb1.7851
S_02123.pdb1.8514
S_04401.pdb1.5730
S_07555.pdb1.6268
S_04676.pdb1.9044
S_06091.pdb2.1441
S_09488.pdb1.7192
S_00347.pdb2.0075
Averaged Ca-rmsd1.820 +/- 0.172

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