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
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Title: Vaccatide: Antifungal Glutamine-rich 8C-Hevein-like Peptide, vH1 PubMed: 28680440
Deposition date: 2017-03-28 Original release date: 2018-07-10
Authors: Xiao, T.; Tam, J.
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).
Assembly members:
Vaccatide, vH1, polymer, 40 residues, 4087.565 Da.
Natural source: Common Name: Vaccaria hispanica Taxonomy ID: 39387 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Vaccaria hispanica
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Vaccatide, vH1: FQCGRQAGGARCSNGLCCSQ
FGYCGSTPPYCGAGQCQSQC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 204 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 40 residues - 4087.565 Da.
| 1 | PHE | GLN | CYS | GLY | ARG | GLN | ALA | GLY | GLY | ALA | |
| 2 | ARG | CYS | SER | ASN | GLY | LEU | CYS | CYS | SER | GLN | |
| 3 | PHE | GLY | TYR | CYS | GLY | SER | THR | PRO | PRO | TYR | |
| 4 | CYS | GLY | ALA | GLY | GLN | CYS | GLN | SER | GLN | CYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_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