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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 HN,CA,CB Chemical shift assignments for apo-Rat intestinal fatty acid binding protein, Clofibric acid-Rat intestinal fatty acid binding protein complex, Fenofibric acid-Rat intestinal fatty acid binding protein complex and Tolfenamic acid-Rat intestinal fatty acid binding protein complex..

BMRB ID: 15082

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Graph for HN,CA,CB Chemical shift assignments for apo-Rat intestinal fatty acid binding protein, Clofibric acid-Rat intestinal fatty acid binding protein complex, Fenofibric acid-Rat intestinal fatty acid binding protein complex and Tolfenamic acid-Rat intestinal fatty acid binding protein complex.

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_0004_397_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0004_397_0001.pdb 1.1086
S_0015_233_0001.pdb 1.6255
S_0005_15_0001.pdb 1.4906
S_0020_279_0001.pdb 0.8461
S_0008_2_0001.pdb 2.2022
S_0011_222_0001.pdb 0.9929
S_0017_232_0001.pdb 1.3897
S_0007_146_0001.pdb 1.1163
S_0019_376_0001.pdb 0.7905
S_0017_123_0001.pdb 0.7785
Averaged Ca-rmsd 1.234 +/- 0.450

RMSD against lowest energy structure for residues 1-131

Structure Score
S_0004_397_0001.pdb 1.1097
S_0015_233_0001.pdb 1.6311
S_0005_15_0001.pdb 1.4951
S_0020_279_0001.pdb 0.8478
S_0008_2_0001.pdb 2.1929
S_0011_222_0001.pdb 0.9949
S_0017_232_0001.pdb 1.3898
S_0007_146_0001.pdb 1.1195
S_0019_376_0001.pdb 0.7912
S_0017_123_0001.pdb 0.7788
Averaged Ca-rmsd 1.235 +/- 0.448

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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