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 Structure for the N-terminus of chromosomal replication initiation protein dnaA from M. genitalium.

BMRB ID: 15055

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Graph for Structure for the N-terminus of chromosomal replication initiation protein dnaA from M. genitalium

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_0021_40_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0021_40_0001.pdb 2.1926
S_0007_254_0001.pdb 1.1790
S_0017_136_0001.pdb 2.0451
S_0012_274_0001.pdb 2.4656
S_0009_249_0001.pdb 2.7834
S_0006_255_0001.pdb 1.6938
S_0025_117_0001.pdb 1.9288
S_0011_6_0001.pdb 3.1157
S_0004_209_0001.pdb 2.9276
S_0003_192_0001.pdb 2.1468
Averaged Ca-rmsd 2.248 +/- 0.592

RMSD against lowest energy structure for residues 1-89

Structure Score
S_0021_40_0001.pdb 2.1856
S_0007_254_0001.pdb 1.1798
S_0017_136_0001.pdb 2.0502
S_0012_274_0001.pdb 2.3058
S_0009_249_0001.pdb 2.7526
S_0006_255_0001.pdb 1.7009
S_0025_117_0001.pdb 1.9317
S_0011_6_0001.pdb 3.1005
S_0004_209_0001.pdb 2.8345
S_0003_192_0001.pdb 2.1270
Averaged Ca-rmsd 2.217 +/- 0.569

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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