BMRB Entry 11072

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR11072
MolProbity Validation Chart

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Title:
The solution structure of the N-terminal fragment of big defensin
Deposition date:
2009-04-13
Original release date:
2009-07-14
Authors:
Kouno, Takahide; Mizuguchi, Mineyuki; Aizawa, Tomoyasu; Shinoda, Hiroyuki; Demura, Makoto; Kawabata, Shun-ichiro; Kawano, Keiichi
Citation:

Citation: Kouno, Takahide; Mizuguchi, Mineyuki; Aizawa, Tomoyasu; Shinoda, Hiroyuki; Demura, Makoto; Kawabata, Shun-ichiro; Kawano, Keiichi. "A novel beta-defensin structure: big defensin changes its N-terminal structure to associate with the target membrane."  Biochemistry 48, 7629-7635 (2009).
PubMed: 19588912

Assembly members:

Assembly members:
A chain, polymer, 30 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Japanese horseshoe crab   Taxonomy ID: 6853   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tachypleus tridentatus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
A chain: PAIYIGATVGPSVWAYLVAL VGAAAVTAAN

Data sets:
Data typeCount
1H chemical shifts195

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1A chain1

Entities:

Entity 1, A chain 30 residues - Formula weight is not available

1   PROALAILETYRILEGLYALATHRVALGLY
2   PROSERVALTRPALATYRLEUVALALALEU
3   VALGLYALAALAALAVALTHRALAALAASN

Samples:

sample_1: A chain0.30 – 0.35 mM; SDS, [U-99% 2H], 100 mM; acetic acid, [U-99% 2H], 50 mM; sodium chloride 20 mM; H2O 95%; D2O 5%

sample_2: A chain0.30 – 0.35 mM; SDS, [U-99% 2H], 100 mM; acetic acid, [U-99% 2H], 50 mM; sodium chloride 20 mM; D2O 100%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

X-PLOR, Brunger - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 11022
PDB
GB AAB36095
PRF 2108380A 2112271A
SP P80957
AlphaFold P80957