BMRB Entry 52497
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52497
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Title: 1x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip)1
Deposition date: 2024-06-06 Original release date: 2024-07-08
Authors: Ramelot, Theresa; Montelione, Gaetano
Citation: Moyer, Adam; Ramelot, Theresa; Curti, Mariano; Eastman, Margaret; Kang, Alex; Bera, Asim; Tejero, Roberto; Salveson, Patrick; Curutchet, Carles; Romero, Elisabet; Montelione, Gaetano; Baker, David. "Enumerative Discovery of Non-Canonical Polypeptide Secondary Structures" .
Assembly members:
entity_1, polymer, 4 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XYXX
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 22 |
15N chemical shifts | 2 |
1H chemical shifts | 34 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | DPR1, trans form | 1 |
2 | DPR1, cis form | 1 |
Entities:
Entity 1, DPR1, trans form 4 residues - Formula weight is not available
ACE TYR CPI NME
1 | ACE | TYR | CPI | NME |
Samples:
sample_1: DPR1 3 ± 1 mg/mL
sample_conditions_1: ionic strength: 0 mM; pressure: 1 atm; temperature: 283 K
sample_conditions_2: ionic strength: 0 mM; pressure: 1 atm; temperature: 298 K
sample_conditions_3: ionic strength: 0 mM; pressure: 1 atm; temperature: 313 K
sample_conditions_4: ionic strength: 0 mM; pressure: 1 atm; temperature: 288K K
sample_conditions_5: ionic strength: 0 mM; pressure: 1 atm; temperature: 308 K
sample_conditions_6: ionic strength: 0 mM; pressure: 1 atm; temperature: 318 K
sample_conditions_7: ionic strength: 0 mM; pressure: 1 atm; temperature: 328 K
sample_conditions_8: ionic strength: 0 mM; pressure: 1 atm; temperature: 338 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
1D 1H | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
1D 1H | sample_1 | isotropic | sample_conditions_2 |
2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_2 |
2D 1H-13C HSQC-ARO | sample_1 | isotropic | sample_conditions_2 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_2 |
1D 1H | sample_1 | isotropic | sample_conditions_3 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_3 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_3 |
1D 1H VT | sample_1 | isotropic | sample_conditions_4 |
1D 1H VT | sample_1 | isotropic | sample_conditions_2 |
1D 1H VT | sample_1 | isotropic | sample_conditions_5 |
1D 1H VT | sample_1 | isotropic | sample_conditions_6 |
1D 1H VT | sample_1 | isotropic | sample_conditions_7 |
1D 1H VT | sample_1 | isotropic | sample_conditions_8 |
Software:
TOPSPIN v4.0.9 - collection
NMRPipe v10.9 - data processing
POKY v20220114 - data analysis
PDBStat v5.21 - peak simulation
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Related Database Links:
PDB_Dev | 00000375 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts