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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 Structural Studies on Plasmodium vivax Merozoite Surface Protein-1.

BMRB ID: 15007

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Graph for Structural Studies on Plasmodium vivax Merozoite Surface Protein-1

Lowest energy structure: S_03099

RMSD against lowest energy structure for all residues

StructureScore
S_03099.pdb5.6491
S_09659.pdb6.3302
S_07573.pdb4.9542
S_08106.pdb5.9314
S_04693.pdb6.2662
S_04657.pdb6.3378
S_05868.pdb6.1992
S_09879.pdb11.1705
S_08100.pdb8.5945
S_03644.pdb5.9761
Averaged Ca-rmsd6.741 +/- 1.811

RMSD against lowest energy structure for residues 12-35, 45-46, 48-48, 57-57, 61-61, 73-75

StructureScore
S_03099.pdb2.4529
S_09659.pdb2.9426
S_07573.pdb2.4052
S_08106.pdb2.7780
S_04693.pdb2.7288
S_04657.pdb3.0668
S_05868.pdb2.8060
S_09879.pdb4.5098
S_08100.pdb4.6547
S_03644.pdb2.4911
Averaged Ca-rmsd3.084 +/- 0.818

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