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Biological Magnetic Resonance Data Bank


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BMRB Entry 52499

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52499

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Title: 1x DPR2 dipeptide repeat with sequence (AMPA, L-Pro)1

Deposition date: 2024-06-07 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: XXPX

Data sets:
Data typeCount
13C chemical shifts12
15N chemical shifts4
1H chemical shifts34

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DPR2, trans form1
2DPR2, cis form1

Entities:

Entity 1, DPR2, trans form 4 residues - Formula weight is not available

ACE ZTR PRO NME

1   ACEZTRPRONME

Samples:

sample_1: DPR2 10 ± 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: 288 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

sample_conditions_9: ionic strength: 0 mM; pressure: 1 atm; temperature: 348 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-AROsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_2
2D 1H-13C HMBCsample_1isotropicsample_conditions_2
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_2
2D 1H-13C HSQC-AROsample_1isotropicsample_conditions_2
2D 1H-1H COSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H ROESYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
1D 1H VTsample_1isotropicsample_conditions_1
1D 1H VTsample_1isotropicsample_conditions_4
1D 1H VTsample_1isotropicsample_conditions_2
1D 1H VTsample_1isotropicsample_conditions_5
1D 1H VTsample_1isotropicsample_conditions_3
1D 1H VTsample_1isotropicsample_conditions_6
1D 1H VTsample_1isotropicsample_conditions_7
1D 1H VTsample_1isotropicsample_conditions_8
1D 1H VTsample_1isotropicsample_conditions_9

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 00000376

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts