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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 Assignment of the 1H, 15N and 13C resonances and determination of the 3D- structure of In-Between-RING (IBR) domain of Parkin.

BMRB ID: 15074

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Graph for Assignment of the 1H, 15N and 13C resonances and determination of the 3D- structure of In-Between-RING (IBR) domain of Parkin

Lowest energy structure: S_0023_236_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0023_236_0001.pdb3.3386
S_0028_5_0001.pdb4.6360
S_0017_220_0001.pdb6.8459
S_0004_220_0001.pdb3.5909
S_0019_73_0001.pdb5.1838
S_0028_187_0001.pdb4.1718
S_0001_60_0001.pdb6.3417
S_0008_299_0001.pdb5.9293
S_0011_263_0001.pdb4.2974
S_0028_6_0001.pdb3.7910
Averaged Ca-rmsd4.813 +/- 1.214

RMSD against lowest energy structure for residues 10-11, 20-56

StructureScore
S_0023_236_0001.pdb2.5446
S_0028_5_0001.pdb2.6984
S_0017_220_0001.pdb2.9246
S_0004_220_0001.pdb2.4194
S_0019_73_0001.pdb3.8459
S_0028_187_0001.pdb3.0383
S_0001_60_0001.pdb3.6124
S_0008_299_0001.pdb2.7123
S_0011_263_0001.pdb2.3575
S_0028_6_0001.pdb1.9947
Averaged Ca-rmsd2.815 +/- 0.567

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