Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds

Summary for 2LLE

DescriptorChemotaxis protein CheY, Imidazole glycerol phosphate synthase subunit HisF chimera (1 entity in total)
Functional Keywords(beta/alpha)8-barrel, tim-barrel, chimeric protein, computationally designed protein, lyase
Biological sourceThermotoga maritima
Cellular locationCytoplasm Q9X0C6
Total number of polymer chains1
Total molecular weight25607.6
Coles, M.,Truffault, V.,Eisenbeis, S.,Proffitt, W.,Meiler, J.,Hocker, B. (deposition date: 2011-11-07, release date: 2012-03-21)
Primary citation
Eisenbeis, S.,Proffitt, W.,Coles, M.,Truffault, V.,Shanmugaratnam, S.,Meiler, J.,Hocker, B.
Potential of fragment recombination for rational design of proteins.
J.Am.Chem.Soc., 134:4019-4022, 2012
PubMed: 22329686 (PDB entries with the same primary citation)
DOI: 10.1021/ja211657k
MImport into Mendeley
Experimental method
NMR Information

Structure validation

ClashscoreRamachandran outliersSidechain outliers70.1%0MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
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