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Results for submission Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states.

BMRB ID: 15177

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Graph for Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states

Lowest energy structure: S_02017

RMSD against lowest energy structure for all residues

StructureScore
S_02017.pdb3.5693
S_03392.pdb2.7989
S_09702.pdb2.4709
S_01103.pdb2.6699
S_07126.pdb2.7508
S_02285.pdb3.3125
S_04594.pdb2.1074
S_02458.pdb3.3529
S_07838.pdb1.8283
S_04468.pdb2.2933
Averaged Ca-rmsd2.715 +/- 0.567

RMSD against lowest energy structure for residues 7-102

StructureScore
S_02017.pdb2.0672
S_03392.pdb1.4675
S_09702.pdb1.5394
S_01103.pdb1.8208
S_07126.pdb2.1873
S_02285.pdb1.9645
S_04594.pdb1.1452
S_02458.pdb1.8364
S_07838.pdb1.4453
S_04468.pdb1.3963
Averaged Ca-rmsd1.687 +/- 0.336

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