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Results for submission Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2.

BMRB ID: 15150

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Graph for Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2

Lowest energy structure: S_0001_202_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0001_202_0001.pdb5.2636
S_0018_90_0001.pdb6.2088
S_0029_279_0001.pdb5.5713
S_0011_40_0001.pdb3.6951
S_0022_21_0001.pdb5.3425
S_0014_135_0001.pdb4.3105
S_0024_280_0001.pdb4.0006
S_0013_113_0001.pdb4.0319
S_0010_92_0001.pdb5.4752
S_0010_309_0001.pdb3.8123
Averaged Ca-rmsd4.771 +/- 0.895

RMSD against lowest energy structure for residues 31-79

StructureScore
S_0001_202_0001.pdb2.5632
S_0018_90_0001.pdb3.1359
S_0029_279_0001.pdb2.5875
S_0011_40_0001.pdb1.7192
S_0022_21_0001.pdb2.1230
S_0014_135_0001.pdb2.1223
S_0024_280_0001.pdb2.1487
S_0013_113_0001.pdb2.0685
S_0010_92_0001.pdb2.2775
S_0010_309_0001.pdb2.4176
Averaged Ca-rmsd2.316 +/- 0.386

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