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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 assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster.

BMRB ID: 15200

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Graph for NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster

Lowest energy structure: S_07786

RMSD against lowest energy structure for all residues

StructureScore
S_07786.pdb1.9818
S_00680.pdb2.3145
S_05716.pdb1.4564
S_03473.pdb1.6091
S_04465.pdb2.2356
S_05565.pdb2.0495
S_05927.pdb2.1551
S_07001.pdb2.2664
S_09108.pdb2.2872
S_07272.pdb2.0455
Averaged Ca-rmsd2.040 +/- 0.292

RMSD against lowest energy structure for residues 3-117

StructureScore
S_07786.pdb1.0821
S_00680.pdb1.3331
S_05716.pdb0.9403
S_03473.pdb1.1639
S_04465.pdb1.5873
S_05565.pdb1.3447
S_05927.pdb1.8213
S_07001.pdb1.9612
S_09108.pdb1.5150
S_07272.pdb1.7039
Averaged Ca-rmsd1.445 +/- 0.331

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