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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 NMR Assignments of the apo Corynebacterium diphtheria Heme Oxygenase.

BMRB ID: 15071

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Graph for NMR Assignments of the apo Corynebacterium diphtheria Heme Oxygenase

Lowest energy structure: S_07693

RMSD against lowest energy structure for all residues

StructureScore
S_07693.pdb10.9914
S_07952.pdb13.4486
S_05221.pdb15.3553
S_09995.pdb13.5649
S_07882.pdb14.2724
S_00467.pdb13.7285
S_06923.pdb13.5017
S_02833.pdb14.4762
S_01341.pdb11.0208
S_04506.pdb13.1407
Averaged Ca-rmsd13.350 +/- 1.390

RMSD against lowest energy structure for residues 125-137

StructureScore
S_07693.pdb2.7830
S_07952.pdb2.8045
S_05221.pdb2.8060
S_09995.pdb2.8032
S_07882.pdb2.6774
S_00467.pdb2.7724
S_06923.pdb2.7320
S_02833.pdb2.7109
S_01341.pdb2.7175
S_04506.pdb2.7013
Averaged Ca-rmsd2.751 +/- 0.048

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