BMRB Entry 30498
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30498
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Title: Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn, beta3 helix, N-methyl hairpin PubMed: 30326175
Deposition date: 2018-07-20 Original release date: 2018-11-12
Authors: Cabalteja, C.; Mihalko, D.; Horne, W.
Citation: Cabalteja, C.; Mihalko, D.; Horne, W.. "Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein" Chembiochem. 20, 103-110 (2019).
Assembly members:
entity_1, polymer, 28 residues, 3328.933 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: NDXCKXLKXRYXGCEXRCDX
PRYEXHCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 177 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 28 residues - 3328.933 Da.
| 1 | ASN | ASP | B3K | CYS | LYS | B3E | LEU | LYS | B3K | ARG | ||||
| 2 | TYR | AIB | GLY | CYS | GLU | MVA | ARG | CYS | ASP | DPR | ||||
| 3 | PRO | ARG | TYR | GLU | MVA | HIS | CYS | NH2 |
Samples:
sample_1: DSS 0.2 mM; Designed peptide NC_HEE_D1: Aib turn, beta3 helix, N-methyl hairpin mutant 1.4 mM
sample_conditions_1: ionic strength: 5 mM; pH: 4.0; pressure: 1 atm; temperature: 275 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - data analysis
ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation
NMR spectrometers:
- Bruker Avance 700 MHz