BMRB Entry 52581

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52581

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Title:
NOEs of HBpep GY23 with changing pH
Deposition date:
2024-08-13
Original release date:
2026-02-23
Authors:
Lim, Jessica; Pervushin, Konstantin
Citation:

Citation: Lim, Jessica; Gudlur, Sushanth; Buchanan, Claire; Perrin, Quentin; Boyd, Hannah; Moulin, Martine; Iwase, Hiroki; Porcar, Lionel; Cardenas, Marite; Miserez, Ali; Pervushin, Konstantin. "Hierarchical Structural Organization in Bioinspired Peptide Coacervate Microdroplets"  ACS Nano 19, 35724-35739 (2025).
PubMed: 41025298

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: jumbo flying squid   Taxonomy ID: 346249   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Dosidicus gigas

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GHGLYGAGFAGHGLHGFAGH GLY

Data typeCount
1H chemical shifts886

Time Domain Data

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1HBpep GY231

Entities:

Entity 1, HBpep GY23 23 residues - Formula weight is not available

1   GLYHISGLYLEUTYRGLYALAGLYPHEALA
2   GLYHISGLYLEUHISGLYPHEALAGLYHIS
3   GLYLEUTYR

Samples:

sample_1: HBpep GY23 1 mM; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 3.5; temperature: 298 K

sample_conditions_2: ionic strength: 0.1 M; pH: 4.5; temperature: 298 K

sample_conditions_3: ionic strength: 0.1 M; pH: 5.0; temperature: 298 K

sample_conditions_4: ionic strength: 0.1 M; pH: 6.0; temperature: 298 K

sample_conditions_5: ionic strength: 0.1 M; pH: 6.5; temperature: 298 K

sample_conditions_6: ionic strength: 0.1 M; pH: 6.7; temperature: 298 K

sample_conditions_7: ionic strength: 0.1 M; pH: 7.0; temperature: 298 K

sample_conditions_8: ionic strength: 0.1 M; pH: 7.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_4
2D 1H-1H NOESYsample_1isotropicsample_conditions_5
2D 1H-1H NOESYsample_1isotropicsample_conditions_6
2D 1H-1H NOESYsample_1isotropicsample_conditions_7
2D 1H-1H NOESYsample_1isotropicsample_conditions_8

Software:

CARA - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE II 700 MHz