BMRB Entry 36068

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36068
MolProbity Validation Chart

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Title:
Vaccatide: Antifungal Glutamine-rich 8C-Hevein-like Peptide, vH1
Deposition date:
2017-03-28
Original release date:
2018-07-10
Authors:
Xiao, T.; Tam, J.
Citation:

Citation: Wong, K.; Tan, W.; Kini, S.; Xiao, T.; Serra, A.; Sze, S.; Tam, J.. "Vaccatides: Antifungal Glutamine-Rich Hevein-Like Peptides from Vaccaria hispanica"  Front Plant Sci. 8, 1100-1100 (2017).
PubMed: 28680440

Assembly members:

Assembly members:
Vaccatide, vH1, polymer, 40 residues, 4087.565 Da.

Natural source:

Natural source:   Common Name: Vaccaria hispanica   Taxonomy ID: 39387   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Vaccaria hispanica

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Vaccatide, vH1: FQCGRQAGGARCSNGLCCSQ FGYCGSTPPYCGAGQCQSQC

Data sets:
Data typeCount
1H chemical shifts204

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 40 residues - 4087.565 Da.

1   PHEGLNCYSGLYARGGLNALAGLYGLYALA
2   ARGCYSSERASNGLYLEUCYSCYSSERGLN
3   PHEGLYTYRCYSGLYSERTHRPROPROTYR
4   CYSGLYALAGLYGLNCYSGLNSERGLNCYS

Samples:

sample_1: vH1 1 mM; TFA 0.1%; H2O 95%; D20, [U-100% 2H], 5%

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

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

SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceII 600 MHz