BMRB Entry 34345

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34345
MolProbity Validation Chart

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Title:
NMR Structure of Big-defensin 1 [44-93] from oyster Crassostrea gigas
Deposition date:
2018-12-21
Original release date:
2019-12-06
Authors:
Loth, K.; Meudal, H.; Delmas, A.
Citation:

Citation: Loth, K.; Vergnes, A.; Barreto, C.; Voisin, S.; Meudal, H.; Da Silva, J.; Bressan, A.; Belmadi, N.; Bachere, E.; Aucagne, V.; Cazevielle, C.; Marchandin, H.; Rosa, R.; Bulet, P.; Touqui, L.; Delmas, A.; Destoumieux-Garzon, D.. "The Ancestral N-Terminal Domain of Big Defensins Drives Bacterially Triggered Assembly into Antimicrobial Nanonets."  Mbio 10, e01821-19-e01821-19 (2019).
PubMed: 31641083

Assembly members:

Assembly members:
entity_1, polymer, 50 residues, 6011.598 Da.

Natural source:

Natural source:   Common Name: Pacific oyster   Taxonomy ID: 29159   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Crassostrea gigas

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SYQRIRSDHDSHSCANNRGW CRPTCFSHEYTDWFNNDVCG SYRCCRPGRX

Data sets:
Data typeCount
13C chemical shifts98
15N chemical shifts53
1H chemical shifts313

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 50 residues - 6011.598 Da.

1   SERTYRGLNARGILEARGSERASPHISASP
2   SERHISSERCYSALAASNASNARGGLYTRP
3   CYSARGPROTHRCYSPHESERHISGLUTYR
4   THRASPTRPPHEASNASNASPVALCYSGLY
5   SERTYRARGCYSCYSARGPROGLYARGAAR

Samples:

sample_1: [44-93]Cg-BigDef1 1.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III HD 700 MHz

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