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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 mannitol- specific cryptic phosphotransferase enzyme IIA CmtB from Escherichia coli.

BMRB ID: 15126

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Graph for NMR assignments of the mannitol- specific cryptic phosphotransferase enzyme IIA CmtB from Escherichia coli

Lowest energy structure: S_0020_151_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0020_151_0001.pdb6.2445
S_0015_24_0001.pdb5.1287
S_0005_166_0001.pdb6.6744
S_0014_310_0001.pdb4.8659
S_0014_246_0001.pdb5.4658
S_0004_220_0001.pdb10.7208
S_0001_273_0001.pdb4.0299
S_0022_14_0001.pdb4.4767
S_0016_362_0001.pdb5.2205
S_0004_279_0001.pdb10.7593
Averaged Ca-rmsd6.359 +/- 2.434

RMSD against lowest energy structure for residues 28-28, 62-66, 76-89, 95-147

StructureScore
S_0020_151_0001.pdb5.1232
S_0015_24_0001.pdb2.3530
S_0005_166_0001.pdb2.2135
S_0014_310_0001.pdb2.4698
S_0014_246_0001.pdb3.6461
S_0004_220_0001.pdb2.6478
S_0001_273_0001.pdb1.7162
S_0022_14_0001.pdb2.2711
S_0016_362_0001.pdb1.8588
S_0004_279_0001.pdb5.2498
Averaged Ca-rmsd2.955 +/- 1.286

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