BMRB Entry 52357

Name: 3x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip3
Published: 2024-09-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52357

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

3x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip3

Deposition date:

2024-03-19

Original release date:

2024-09-10

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, 8 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: GYXYXYXX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	34
15N chemical shifts	4
1H chemical shifts	55

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DPR1	1

Entities:

Entity 1, DPR1 8 residues - Formula weight is not available

1

GLY

TYR

CPI

TYR

CPI

TYR

CPI

NH2

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: 323 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:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_3
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_2
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 13C-HSQC-TOCSY	sample_1	isotropic	sample_conditions_2
1D 1H	sample_1	isotropic	sample_conditions_4
1D 1H	sample_1	isotropic	sample_conditions_5
1D 1H	sample_1	isotropic	sample_conditions_6
1D 1H	sample_1	isotropic	sample_conditions_7
1D 1H	sample_1	isotropic	sample_conditions_8
1D 1H	sample_1	isotropic	sample_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

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