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Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn
Authors
Cabalteja, C.C., Mihalko, D.S., Horne, W.S.
Assembly
Designed peptide NC HEE D1: Aib turn mutant
Entity
1. Designed peptide NC HEE D1: Aib turn mutant (polymer, Thiol state: all disulfide bound), 28 monomers, 3252.749 Da Detail

NDKCKELKKR YXGCEVRCDX PRYEVHCX


Formula weight
3252.749 Da
Entity Connection
disulfide 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS4:SG1:CYS18:SG
2disulfidesing1:CYS14:SG1:CYS27:SG

Source organism
synthetic construct
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 89.3 %, Completeness: 99.4 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

Total1H
All99.4 % (163 of 164)99.4 % (163 of 164)
Backbone98.0 % (49 of 50)98.0 % (49 of 50)
Sidechain100.0 % (114 of 114)100.0 % (114 of 114)
Aromatic100.0 % (10 of 10)100.0 % (10 of 10)
Methyl100.0 % (6 of 6)100.0 % (6 of 6)

1. entity 1

NDKCKELKKR YXGCEVRCDX PRYEVHCX

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 275 K, pH 4.0, Details 0.2 mM NA DSS, 0.5 mM NA Designed peptide NC_HEE_D1: Aib turn mutant, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1DSSnatural abundance0.2 mM
2Designed peptide NC_HEE_D1: Aib turn mutantnatural abundance0.5 mM

Release date
2018-07-29
Citation
Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein
Cabalteja, C.C., Mihalko, D.S., Horne, W.S.
Chembiochem. (2018), 20, 103-110, PubMed 30326175 , DOI 10.1002/cbic.201800558 ,
Related entities 1. Designed peptide NC HEE D1: Aib turn mutant, : 1 : 1 : 4 entities Detail
Experiments performed 3 experiments Detail
NMR combined restraints 5 contents Detail
Keywords DE NOVO PROTEIN, heterogeneous backbone foldamer