BMRB Entry 51942

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51942

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Title:
1H and 13C NMR assignments for panusin
Deposition date:
2023-04-26
Original release date:
2023-06-29
Authors:
Jimenez, M. Angeles; Andreu, David; Bello-Madruga, Roberto
Citation:

Citation: Bello-Madruga, Roberto; Valle, Javier; Jimenez, M. Angeles; Torrent, Marc; Montero-Alejo, Vivian; Andreu, David. "The C-Terminus of Panusin, a Lobster b-Defensin, Is Crucial for Optimal Antimicrobial Activity and Serum Stability"  Pharmaceutics 15, 1777-1777 (2023).
PubMed: 37376223

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Caribbean spiny lobster   Taxonomy ID: 6737   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Panulirus argus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SYVGDCGSNGGSCVSSYCPY GNRLNYFCPLGRTCCRRSYX

Data typeCount
13C chemical shifts319
1H chemical shifts649

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PaD1

Entities:

Entity 1, PaD 40 residues - Formula weight is not available

X is the C-terminal amide group Sequence corresponds to panusin from lobster

1   SERTYRVALGLYASPCYSGLYSERASNGLY
2   GLYSERCYSVALSERSERTYRCYSPROTYR
3   GLYASNARGLEUASNTYRPHECYSPROLEU
4   GLYARGTHRCYSCYSARGARGSERTYRNH2

Samples:

sample_1: PaD 1 mM; H2O 90%; D2O, [U-100% 2H], 10%; DSS 0.1 mM

sample_2: PaD 1 mM; D2O, [U-100% 2H], 100%; DSS 0.1 mM

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298.17 K

sample_conditions_2: pH: 5.5; pressure: 1 atm; temperature: 278.17 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
1D 1Hsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_2
2D DQF-COSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_2

Software:

TOPSPIN - collection, processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz