BMRB Entry 36079
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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/BMR36079
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Wong, K.; Tan, W.; Xiao, T.; Tam, J.. "Beta-Ginkgotides: Hyperdisulfide-constrained peptides from Ginkgo biloba" Sci. Rep. 7, 6140-6140 (2017).
PubMed: 28733600
Assembly members:
entity_1, polymer, 20 residues, 2384.799 Da.
Natural source: Common Name: Ginkgo biloba Taxonomy ID: 3311 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Ginkgo biloba
Experimental source: Production method: na
Entity Sequences (FASTA):
entity_1: YETGCKRCCYLDEYGCIRCC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 102 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 20 residues - 2384.799 Da.
| 1 | TYR | GLU | THR | GLY | CYS | LYS | ARG | CYS | CYS | TYR | |
| 2 | LEU | ASP | GLU | TYR | GLY | CYS | ILE | ARG | CYS | CYS |
Samples:
sample_1: beta-ginkgotide, beta-gB1 2 mM; TFA 0.1%; D2O, [U-2H], 5%; H2O 95%
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 - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceII 600 MHz