BMRB Entry 52500

Title:
5x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip)5
Deposition date:
2024-06-10
Original release date:
2024-07-08
Authors:
Ramelot, Theresa; Montelione, Gaetano
Citation:

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 Noncanonical Polypeptide Secondary Structures"  J. Am. Chem. Soc. 146, 25501-25512 (2024).
PubMed: 39231524

Assembly members:

Assembly members:
entity_1, polymer, 12 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XYXYXYXYXYX

Data sets:
Data typeCount
1H chemical shifts85

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DPR11

Entities:

Entity 1, DPR1 12 residues - Formula weight is not available

ACE TYR CPI TYR CPI TYR CPI TYR CPI TYR CPI NME

1   ACETYRCPITYRCPITYRCPITYRCPITYR
2   CPINME

Samples:

sample_1: DPR1 2 ± 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: 293 K

sample_conditions_5: ionic strength: 0 mM; pressure: 1 atm; temperature: 303 K

sample_conditions_6: ionic strength: 0 mM; pressure: 1 atm; temperature: 323 K

sample_conditions_7: ionic strength: 0 mM; pressure: 1 atm; temperature: 333 K

sample_conditions_9: ionic strength: 0 mM; pressure: 1 atm; temperature: 343 K

sample_conditions_8: ionic strength: 0 mM; pressure: 1 atm; temperature: 348 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC-AROsample_1isotropicsample_conditions_1
2D 13C-HSQC-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQC-edsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-AROsample_1isotropicsample_conditions_2
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H COSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-15N HSQC-edsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
2D 1H-13C HSQC-AROsample_1isotropicsample_conditions_3
2D 1H-13C HSQCsample_1isotropicsample_conditions_3
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-15N HSQC-edsample_1isotropicsample_conditions_3
2D 1H-15N HSQCsample_1isotropicsample_conditions_3
2D 1H-13C HSQCsample_1isotropicsample_conditions_8
2D 1H-15N HSQC-edsample_1isotropicsample_conditions_8
2D 1H-15N HSQCsample_1isotropicsample_conditions_8
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_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 00000375